Cycloheptanecarboxylic acid | SBID = 1183 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| 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: | 115.1 | ||
| Sum Formula: | C8H14O2 | ||
| M / g/mol: | 142.2 | ||
| Complexity: | 112.0 | ||
| Number of Conformers: | 7.0 |
Identifiers
- Tags:
- Name: Cycloheptanecarboxylic acid
- Preferred Abbreviation: Cycloheptanecarboxylic acid
- IUPAC Name: cycloheptanecarboxylic acid
- CAS: 1460-16-8
- CID: 15091
- InChiKey: VZFUCHSFHOYXIS-UHFFFAOYSA-N
- InChi: InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
- CanoSmiles: C1CCCC(CC1)C(=O)O
- IsoSmiles: C1CCCC(CC1)C(=O)O
