Heptanoate | SBID = 1690 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| 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: | 111.9 | ||
| Sum Formula: | C7H13O2- | ||
| M / g/mol: | 129.18 | ||
| Complexity: | 73.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: anion, typical guest, charged
- Name: Heptanoate
- Preferred Abbreviation: Heptanoate
- IUPAC Name: heptanoate
- CAS: 7563-37-3
- CID: 93052
- InChiKey: MNWFXJYAOYHMED-UHFFFAOYSA-M
- InChi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
- CanoSmiles: CCCCCCC(=O)[O-]
- IsoSmiles: CCCCCCC(=O)[O-]
