3-methylphenylacetate | SBID = 1709 | 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: | C9H9O2- | ||
| M / g/mol: | 149.16656 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: anion
- Name: 3-methylphenylacetate
- Preferred Abbreviation: 3-methylphenylacetate
- IUPAC Name:
- CAS:
- CID: -674
- InChiKey: GJMPSRSMBJLKKB-UHFFFAOYSA-M
- InChi: InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
- CanoSmiles: [O-]C(=O)Cc1cccc(c1)C
- IsoSmiles: [O-]C(CC1=CC(C)=CC=C1)=O
