(1S,3R)-(-)-Camphoric acid | SBID = 107 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 74.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 153.8 | ||
| Sum Formula: | C10H16O4 | ||
| M / g/mol: | 200.234 | ||
| Complexity: | 282.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: (1S,3R)-(-)-Camphoric acid
- Preferred Abbreviation: (1S,3R)-(-)-Camphoric acid
- IUPAC Name: (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
- CAS: 560-09-8
- CID: 219463
- InChiKey: LSPHULWDVZXLIL-QUBYGPBYSA-N
- InChi: InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1
- CanoSmiles: CC1(C(CCC1(C)C(=O)O)C(=O)O)C
- IsoSmiles: C[C@@]1(CC[C@H](C1(C)C)C(=O)O)C(=O)O
