cyclohexanecarboxylic acid | SBID = 2147 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | 37.3 | ||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | 3.07 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 102.7 | ||
| Sum Formula: | C7H12O2 | ||
| M / g/mol: | 128.17 | ||
| Complexity: | 104.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: cyclohexanecarboxylic acid
- Preferred Abbreviation: CYCLOHEXANECARBOXYLIC ACID
- IUPAC Name: cyclohexanecarboxylic acid
- CAS:
- CID: 7413
- InChiKey: NZNMSOFKMUBTKW-UHFFFAOYSA-N
- InChi: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
- CanoSmiles: C1CCC(CC1)C(=O)O
- IsoSmiles: C1CCC(CC1)C(=O)O
