1-phenylethyl acetate | SBID = 2678 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | 26.3 | ||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| Hydrophilicity (Cheng XLogP3): | 2.0 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 135.3 | ||
| Sum Formula: | C10H12O2 | ||
| M / g/mol: | 164.2 | ||
| Complexity: | 148.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 1-phenylethyl acetate
- Preferred Abbreviation: 1-Phenylethyl acetate
- IUPAC Name: 1-phenylethyl acetate
- CAS:
- CID: 62341
- InChiKey: QUMXDOLUJCHOAY-UHFFFAOYSA-N
- InChi: InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
- CanoSmiles: CC(C1=CC=CC=C1)OC(=O)C
- IsoSmiles: CC(C1=CC=CC=C1)OC(=O)C
