1-heptanoic acid | SBID = 878 | 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: | C7H14O2 | ||
| M / g/mol: | 130.18486 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: acid
- Name: 1-heptanoic acid
- Preferred Abbreviation: Heptanoic acid
- IUPAC Name:
- CAS:
- CID: -271
- InChiKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
- CanoSmiles: CCCCCCC(=O)O
- IsoSmiles: CCCCCCC(=O)O
