(s)-(-)-perillic acid | SBID = 1044 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.7 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 136.8 | ||
| Sum Formula: | C10H14O2 | ||
| M / g/mol: | 166.22 | ||
| Complexity: | 238.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags: terpen, typical guest
- Name: (s)-(-)-perillic acid
- Preferred Abbreviation: (s)-(-)-perillic acid
- IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
- CAS: 23635-14-5
- CID: 2724160
- InChiKey: CDSMSBUVCWHORP-MRVPVSSYSA-N
- InChi: InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8-/m1/s1
- CanoSmiles: CC(=C)C1CCC(=CC1)C(=O)O
- IsoSmiles: CC(=C)[C@H]1CCC(=CC1)C(=O)O
