| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 9 | No |
Popular Name: 2-oxocyclohexanecarbaldehyde 2-oxocyclohexanecarbaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130611-83-5 , 1807938-23-3 , 53983-62-3 , 823-45-0
| 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) | 1.67 | 2.64 | -38.18 | 0 | 2 | -1 | 40 | 125.147 | 1 | ↓ |
| Ref Reference (pH 7) | 0.38 | 2.6 | -40.58 | 0 | 2 | -1 | 40 | 125.147 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 2.1 | -7.99 | 1 | 2 | 0 | 37 | 126.155 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 214 - 216 | Enamine Building Blocks |
| MP | 214...216 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
