Ethyl acetate | SBID = 1410 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.7 | ||
| 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: | 73.8 | ||
| Sum Formula: | C4H8O2 | ||
| M / g/mol: | 88.11 | ||
| Complexity: | 49.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: typical guest
- Name: Ethyl acetate
- Preferred Abbreviation: Ethyl acetate
- IUPAC Name: ethyl acetate
- CAS: 141-78-6
- CID: 8857
- InChiKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
- CanoSmiles: CCOC(=O)C
- IsoSmiles: CCOC(=O)C
