Methyl acetate | SBID = 903 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C3H6O2 | ||
| M / g/mol: | 74.07854 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: esters
- Name: Methyl acetate
- Preferred Abbreviation: Methyl acetate
- IUPAC Name:
- CAS:
- CID: -296
- InChiKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
- InChi: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
- CanoSmiles: COC(=O)C
- IsoSmiles: CC(=O)OC
