(1S)-(-)-Camphanic acid | SBID = 105 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 63.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 150.5 | ||
| Sum Formula: | C10H14O4 | ||
| M / g/mol: | 198.218 | ||
| Complexity: | 333.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: (1S)-(-)-Camphanic acid
- Preferred Abbreviation: (1S)-(-)-Camphanic acid
- IUPAC Name: (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
- CAS: 13429-83-9
- CID: 719817
- InChiKey: KPWKPGFLZGMMFX-VHSXEESVSA-N
- InChi: InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1
- CanoSmiles: CC1(C2(CCC1(OC2=O)C(=O)O)C)C
- IsoSmiles: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O
