Hexanoate | SBID = 1687 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| 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: | 99.0 | ||
| Sum Formula: | C6H11O2- | ||
| M / g/mol: | 115.15 | ||
| Complexity: | 63.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Hexanoate
- Preferred Abbreviation: Hexanoate
- IUPAC Name: hexanoate
- CAS: 151-33-7
- CID: 4398339
- InChiKey: FUZZWVXGSFPDMH-UHFFFAOYSA-M
- InChi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
- CanoSmiles: CCCCCC(=O)[O-]
- IsoSmiles: CCCCCC(=O)[O-]
