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Cyclohexaneacetic acid | SBID = 202 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| 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: | 115.6 | ||
| Sum Formula: | C8H14O2 | ||
| M / g/mol: | 142.198 | ||
| Complexity: | 114.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: Cyclohexaneacetic acid
- Preferred Abbreviation: Cyclohexaneacetic acid
- IUPAC Name: 2-cyclohexylacetic acid
- CAS: 5292-21-7
- CID: 21363
- InChiKey: LJOODBDWMQKMFB-UHFFFAOYSA-N
- InChi: InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
- CanoSmiles: C1CCC(CC1)CC(=O)O
- IsoSmiles: C1CCC(CC1)CC(=O)O
