cyclopentanecarboxylic acid | SBID = 2148 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | 37.3 | ||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | 2.53 | ||
| 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: | 92.4 | ||
| Sum Formula: | C6H10O2 | ||
| M / g/mol: | 114.14 | ||
| Complexity: | 92.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: cyclopentanecarboxylic acid
- Preferred Abbreviation: Cyclopentanecarboxylic acid
- IUPAC Name: cyclopentanecarboxylic acid
- CAS:
- CID: 18840
- InChiKey: JBDSSBMEKXHSJF-UHFFFAOYSA-N
- InChi: InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
- CanoSmiles: C1CCC(C1)C(=O)O
- IsoSmiles: C1CCC(C1)C(=O)O
