| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 9 | Yes |
Popular Name: 3-oxocyclopentanecarboxylic acid 3-oxocyclopentanecarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13012-38-9 , 142643-29-6 , 98-78-2 , [98-78-2]
(R)-3-OXOCYCLOPENTANECARBOXYLIC ACID
3-cyclopentanone-1(R)-carboxylic acid
3-Oxo cyclopentane 1-carboxylic acid
3-OXO-1-CYCLO PENTANECARBOXYLIC ACID
3-Oxo-1-cyclopentanecarboxylic acid
3-Oxo-1-cyclopentanecarboxylic acid, 97%
3-Oxo-cyclopentane-carboxylic acid
3-Oxocyclopentane-1-carboxylic acid
3-Oxocyclopentanecarboxylic acid, 97%
| 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) | -0.23 | 2.88 | -44.69 | 0 | 3 | -1 | 57 | 127.119 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 8.54 | -13.6 | 3 | 5 | 0 | 76 | 380.488 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 59 - 62 | Acros Organics |
| Melting_Point | 59-62? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.