phenylacetate | SBID = 1716 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H7O2- | ||
| M / g/mol: | 135.13998 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: anion, charged
- Name: phenylacetate
- Preferred Abbreviation: phenylacetate
- IUPAC Name:
- CAS:
- CID: -678
- InChiKey: WLJVXDMOQOGPHL-UHFFFAOYSA-M
- InChi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
- CanoSmiles: [O-]C(=O)Cc1ccccc1
- IsoSmiles: [O-]C(CC1=CC=CC=C1)=O
