cyclohex-3-ene-1-carboxylic acid | SBID = 2546 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | 37.3 | ||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | 2.47 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 100.3 | ||
| Sum Formula: | C7H10O2 | ||
| M / g/mol: | 126.15 | ||
| Complexity: | 138.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: cyclohex-3-ene-1-carboxylic acid
- Preferred Abbreviation: cyclohex-3-ene-1-carboxylic acid
- IUPAC Name: cyclohex-3-ene-1-carboxylic acid
- CAS:
- CID: 20903
- InChiKey: VUSWCWPCANWBFG-UHFFFAOYSA-N
- InChi: InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
- CanoSmiles: C1CC(CC=C1)C(=O)O
- IsoSmiles: C1CC(CC=C1)C(=O)O
