Acetate | SBID = 771 | Compound |
Structure
Molecular Properties
| Interactions: | 13 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| 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: | 47.5 | ||
| Sum Formula: | C2H3O2- | ||
| M / g/mol: | 59.04 | ||
| Complexity: | 25.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: anion
- Name: Acetate
- Preferred Abbreviation: Acetate
- IUPAC Name: acetate
- CAS: 71-50-1
- CID: 175
- InChiKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
- InChi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
- CanoSmiles: CC(=O)[O-]
- IsoSmiles: CC(=O)[O-]
