Butanoate | SBID = 1698 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C4H7O2- | ||
| M / g/mol: | 87.09718 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Butanoate
- Preferred Abbreviation: Butanoate
- IUPAC Name:
- CAS:
- CID: -667
- InChiKey: FERIUCNNQQJTOY-UHFFFAOYSA-M
- InChi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
- CanoSmiles: [O-]C(=O)CCC
- IsoSmiles: CCCC([O-])=O
