methyl 2-phenylacetate | SBID = 2547 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | 26.3 | ||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 1.83 | ||
| Charge: | 0.0 | ||
| 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: | 124.5 | ||
| Sum Formula: | C9H10O2 | ||
| M / g/mol: | 150.17 | ||
| Complexity: | 126.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: methyl 2-phenylacetate
- Preferred Abbreviation: METHYL PHENYLACETATE
- IUPAC Name: methyl 2-phenylacetate
- CAS:
- CID: 7559
- InChiKey: CRZQGDNQQAALAY-UHFFFAOYSA-N
- InChi: InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
- CanoSmiles: COC(=O)CC1=CC=CC=C1
- IsoSmiles: COC(=O)CC1=CC=CC=C1
