Biphenyl-3-carboxylic acidanion | SBID = 1705 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 161.8 | ||
| Sum Formula: | C13H9O2- | ||
| M / g/mol: | 197.21 | ||
| Complexity: | 213.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: Biphenyl-3-carboxylic acidanion
- Preferred Abbreviation: Biphenyl-3-carboxylic acidanion
- IUPAC Name: 3-phenylbenzoate
- CAS:
- CID: 6994964
- InChiKey: XNLWJFYYOIRPIO-UHFFFAOYSA-M
- InChi: InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)/p-1
- CanoSmiles: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)[O-]
- IsoSmiles: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)[O-]
