Acetic acid | SBID = 678 | 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: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C2H4O2 | ||
| M / g/mol: | 60.05196 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: acid
- Name: Acetic acid
- Preferred Abbreviation: Acetic acid
- IUPAC Name: Ethanoic acid
- CAS: 64-19-7
- CID: -182
- InChiKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
- InChi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
- CanoSmiles: CC(=O)O
- IsoSmiles: CC(O)=O
