6-heptenoate | SBID = 1691 | 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: | C7H11O2- | ||
| M / g/mol: | 127.16104 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 6-heptenoate
- Preferred Abbreviation: 6-heptenoate
- IUPAC Name:
- CAS:
- CID: -666
- InChiKey: RWNJOXUVHRXHSD-UHFFFAOYSA-M
- InChi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)/p-1
- CanoSmiles: C=CCCCCC(=O)[O-]
- IsoSmiles: [O-]C(CCCCC=C)=O
