trans-2-hexenoate | SBID = 1689 | 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: | C6H9O2- | ||
| M / g/mol: | 113.13446 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: trans-2-hexenoate
- Preferred Abbreviation: trans-2-hexenoate
- IUPAC Name:
- CAS:
- CID: -665
- InChiKey: NIONDZDPPYHYKY-UHFFFAOYSA-M
- InChi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/p-1
- CanoSmiles: [O-]C(=O)/C=C/CCC
- IsoSmiles: [O-]C(/C=C/CCC)=O
