| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: 2-Furoic acid 2-Furoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16874-33-2 , 57273-36-6 , 88-14-2 , [88-14-2]
2-Furancarboxylic acid; 2-Furoate; 2-Furoic acid; 88-14-2; C01546; Pyromucic acid
| 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) | 0.77 | 2.23 | -50.38 | 0 | 3 | -1 | 53 | 111.076 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 127-132? | Alfa-Aesar |
| Melting_Point | 127-132° | Alfa-Aesar |
| MP | 129 - 130 | Enamine Building Blocks |
| Mp [°C] | 129 - 133 | Acros Organics |
| MP | 129...130 | Enamine Building Blocks |
| MP | 132 | TCI |
| BP [°C] | 230 - 232 | Acros Organics |
| Boiling_Point | 230-232? subl. | Alfa-Aesar |
| Boiling_Point | 230-232° subl. | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0031296A1; EP0035228A1; EP0957915A1; US3932465; US3968102; US4327209; US4372953; US6011037; WO1994014809A1; WO1998008830A1; WO1998008841A1; WO1998014191A1; WO2000010573A1 | IBM Patent Data |
| Patent Database Links | EP0908457 | ChEBI |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation | 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P352: IF ON SKIN: | Acros Organics |
| R phrase | R37/38: Irritating to respiratory system and skin. | Acros Organics |
| R phrase | R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.