| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 11 | Yes |
Popular Name: 2-methyl-4-oxocyclohexane-1-carboxylic acid 2-methyl-4-oxocyclohexane-1-carb…
Find On: PubMed — Wikipedia — Google
CAS Number: 115989-20-3
| 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) | 0.52 | 4.8 | -43.08 | 0 | 3 | -1 | 57 | 155.173 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0215120A1; US4846998 | IBM Patent Data |
