M-tolyl acetate | SBID = 1708 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| 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: | 124.2 | ||
| Sum Formula: | C9H10O2 | ||
| M / g/mol: | 150.17 | ||
| Complexity: | 143.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: M-tolyl acetate
- Preferred Abbreviation: M-TOLYL ACETATE
- IUPAC Name: (3-methylphenyl) acetate
- CAS: 122-46-3
- CID: 67406
- InChiKey: OTGAHJPFNKQGAE-UHFFFAOYSA-N
- InChi: InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
- CanoSmiles: CC1=CC(=CC=C1)OC(=O)C
- IsoSmiles: CC1=CC(=CC=C1)OC(=O)C
