In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 10 | Yes |
Popular Name: 4-oxocyclohexanecarboxylic acid 4-oxocyclohexanecarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 874-61-3 , 974-61-3 , [874-61-3]
4-carboxycyclohexanone; 4-oxocyclohexane-1-carboxylic acid; 4-oxocyclohexanecarboxylate
4-Oxocyclohehane-1-carboxylic acid
4-Oxocyclohexane carboxylic acid
4-Oxocyclohexane-1-carboxylic acid
4-Oxocyclohexanecarboxylate; 4-ketocyclohexanecarboxylate; 4-oxocyclohexanecarboxylate
4-Oxocyclohexanecarboxylate; C03767
4-Oxocyclohexanecarboxylic acid 97%
4-Oxocyclohexanecarboxylic acid, 98%
Cyclohexanecarboxylicacid, 4-oxo-
cyclohexanecarboxylicacid,4-oxo-
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) | 0.04 | 3.54 | -44.66 | 0 | 3 | -1 | 57 | 141.146 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 62 - 64 | Enamine Building Blocks |
MP | 62...64 | Enamine Building Blocks |
Melting_Point | 65-71? | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Patent Database Links | US2004224954 | ChEBI |