2-phenylacetic acid | SBID = 2322 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | 37.3 | ||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | 3.26 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 111.0 | ||
| Sum Formula: | C8H8O2 | ||
| M / g/mol: | 136.15 | ||
| Complexity: | 114.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags:
- Name: 2-phenylacetic acid
- Preferred Abbreviation: 2-phenylacetic acid
- IUPAC Name: 2-phenylacetic acid
- CAS:
- CID: 999
- InChiKey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
- InChi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
- CanoSmiles: C1=CC=C(C=C1)CC(=O)O
- IsoSmiles: C1=CC=C(C=C1)CC(=O)O
