| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 6 | No |
Popular Name: Oxalic Acid Oxalic Acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10043-22-8 , 1113-38-8 , 1193389-20-6 , 126956-48-7 , 127-95-7 , 13268-42-3 , 139-42-4 , 14221-47-7 , 14258-49-2 , 144-62-7 , 14402-67-6 , 166897-40-1 , 24670-06-2 , 260429-91-2 , 304675-55-6 , 30618-31-6 , 30903-87-8 , 4255-07-6 , 5039-61-2 , 513-80-4 , 51373-68-3 , 516-03-0 , 533-91-3 , 553-91-3 , 56884-75-4 , 57592-57-1 , 5794-28-5 , 5893-66-3 , 5965-38-8 , 6009-70-7 , 6018-94-6 , 6047-25-2 , 6100-20-5 , 6153-56-6 , 62-76-0 , 6273-12-7 , 6340-91-6 , 6487-48-5 , 6556-16-7 , 6629-60-3 , 79079-18-8 , 814-87-9 , 814-94-8 , 814-95-9 , 97993-78-7 , [13268-42-3] , [14221-47-7] , [144-62-7] , [513-80-4] , [537-03-1] , [62-76-0] , [6487-48-5] , [814-89-1] , [814-93-7]
"Oxalic acid dihydrate, 99.5% [ACS reagent]"
139-42-4; Cerium oxalate; D07103
144-62-7; C00209; Ethanedioic acid; Oxalate; Oxalic acid
144-62-7; ethanedioic acid; oxalate; oxalic acid
2-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-BENZOIC ACID
Ammonium ferric oxalate trihydrate
Ammonium iron(III) oxalate hydrate
Ammonium iron(III) oxalate trihydrate
Ammonium iron(III) oxalate trihydrate, 98%
Ammonium oxalate monohydrate, 98%
Ammonium oxalate monohydrate, 98+%
Ammonium oxalate monohydrate, 99.5%, for analysis
Ammonium oxalate monohydrate, ACS
Ammonium oxalate monohydrate, ACS, 99.0-101.0%
Calcium oxalate monohydrate, 98%, extra pure
Calcium oxalate monohydrate, 99%
CHEBI:44583; CHEBI:25730; CHEBI:7811
Cobalt(II) oxalate dihydrate, Reagent Grade
Copper(II) oxalate hemihydrate
Copper(II) oxalate hemihydrate, 98%
Erbium(III) oxalate decahydrate
Erbium(III) oxalate decahydrate, 99.9%
Ethandisaeure; H2ox; HOOCCOOH; Oxalsaeure; ethane-1,2-dioic acid
Ethanedioic acid,potassium salt (1:?)
Hox; hydrogen ethanedioate; hydrogen oxalate
Iron(II) oxalate dihydrate, 99%
Manganese(II) oxalate dihydrate, Mn 30% min
Oxalic acid ammonium salt monohydrate
Oxalic acid dihydrate, ACS, 99.5-102.5%
Oxalic acid potassium salt monohydrate
Oxalic acid, 0.1 N standard solution
Oxalic acid, potassium salt dihydrate, 99%, extra pure
Potassium bis(oxalato)oxotitanate(IV) dihydrate
Potassium bis(oxalato)oxotitanate(IV) hydrate, Puratronic?, 99.997% (metals basis)
Potassium bis(oxalato)oxotitanate(IV) hydrate, Puratronic?, 99.998% (metals basis)
Potassium bis(oxalato)oxotitanate(IV) hydrate, Puratronic®
Potassium bis(oxalato)oxotitanate(IV) hydrate, Puratronic®, 99.998% (metals basis)
Potassium bis(oxalato)oxotitanate(IV) hydrate, Puratronic×, 99.998% (metals basis)
Potassium oxalate hydrate, 99%
Potassium oxalate monohydrate, ACS
Potassium oxalate monohydrate, ACS, 98.8-101.0%
Potassium Tetroxalate Dihydrate
Potassium trihydrogen dioxalate dihydrate
Potassium Trihydrogen Dioxalate Dihydrate [for Determination of pH]
Potassium trihydrogen dioxalate dihydrate, 98+%
sec-Butylamine ethanedioate (2:1)
Sodium oxalate, 99.5%, for analysis
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.20 | 0.25 | -113.85 | 0 | 4 | -2 | 80 | 88.018 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 100? dec. | Alfa-Aesar |
| Melting_Point | 100° dec. | Alfa-Aesar |
| Melting_Point | 101-105? | Alfa-Aesar |
| Melting_Point | 101-105° | Alfa-Aesar |
| MP | 104-106° | Oakwood Chemical |
| MP | 126 - 128 | Enamine Building Blocks |
| MP | 126...128 | Enamine Building Blocks |
| MP | 173 - 175 | Enamine Building Blocks |
| MP | 173...175 | Enamine Building Blocks |
| M.P | 189.5 °C | Indofine |
| Melting_Point | 190? dec. | Alfa-Aesar |
| Melting_Point | 190° dec. | Alfa-Aesar |
| Mp [°C] | 200 | Acros Organics |
| Melting_Point | 200? | Alfa-Aesar |
| Melting_Point | 200° | Alfa-Aesar |
| Melting_Point | 229-231? dec. | Alfa-Aesar |
| Melting_Point | 229-231° dec. | Alfa-Aesar |
| Mp [°C] | 250 - 270 | Acros Organics |
| Melting_Point | 250-270? dec. | Alfa-Aesar |
| Melting_Point | 250-270° dec. | Alfa-Aesar |
| Melting_Point | 280? dec. | Alfa-Aesar |
| Melting_Point | 280° dec. | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 6.57e+01 g/l | DrugBank-experimental |
| Mp [°C] | 70 | Acros Organics |
| Melting_Point | 70? dec. | Alfa-Aesar |
| Melting_Point | 70° dec. | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| UniProt Database Links | ABI4_ARATH; ACEA_HYPME; ADCYA_HUMAN; AMBP_BOVIN; AMBP_HUMAN; AMBP_MERUN; AMBP_MESAU; AMBP_MOUSE; AMBP_PIG; AMBP_RAT; COFG_ANAVT; COFG_ARCFU; COFG_GLOVI; COFG_HALMA; COFG_HALS3; COFG_HALSA; COFG_META3; COFG_METAC; COFG_METB6; COFG_METBF; COFG_METBU; COFG_M | ChEBI |
| UniProt Database Links | ADCYA_HUMAN; AMBP_BOVIN; AMBP_HUMAN; AMBP_MERUN; AMBP_MESAU; AMBP_MOUSE; AMBP_PIG; AMBP_RAT; GRHPR_HUMAN; HOGA1_HUMAN; OSTP_MOUSE; S26A6_HUMAN; S26A6_MOUSE; SPYA_HUMAN; TFF1_HUMAN | ChEBI |
| Melting_Point | ca 185? dec. | Alfa-Aesar |
| Melting_Point | ca 185° dec. | Alfa-Aesar |
| Melting_Point | ca 250-270? dec. | Alfa-Aesar |
| Melting_Point | ca 250-270° dec. | Alfa-Aesar |
| UniProt Database Links | CBX2_HUMAN; CBX2_MOUSE; CBX4_HUMAN; CBX4_MOUSE; CBX6_HUMAN; CBX6_MOUSE; CBX7_HUMAN; CBX7_MOUSE; CBX7_RAT; CBX8_HUMAN; CBX8_MOUSE; CDC73_HUMAN; CDC73_MOUSE; CDC73_RAT; CHDM_DROME; CNC_DROME; CTR9_HUMAN; CTR9_MOUSE; EED_MOUSE; GEMI_HUMAN; GEMI_MOUSE; HMGX7_ | ChEBI |
| Melting_Point | dec. | Alfa-Aesar |
| Patent Database Links | EP0827954; EP0842936; EP0857725; EP0900787; EP0916338; EP0937457; EP0982297; EP1028116; EP1044961; EP1061075; EP1067174; EP1077066; EP1078925; EP1104765; EP1214971; EP1359149; EP1407773; EP1541582; EP1586568; EP1598346; EP1602652; EP1604646; EP1637547; EP | ChEBI |
| Patent Database Links | EP1132381; EP2000462; US2004220225; US2006264506 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| Reactome Database Links | REACT_16979 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH4-6-E | Carbonic Anhydrase IV (cluster #6 Of 16), Eukaryotic | Eukaryotes | 99 | 1.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 99 | 1.63 | Binding ≤ 1μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 99 | 1.63 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glyoxylate metabolism |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.