(+/-)-2-methylbutanoate | SBID = 1685 | 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: | C5H9O2- | ||
| M / g/mol: | 101.12376 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: (+/-)-2-methylbutanoate
- Preferred Abbreviation: (+/-)-2-methylbutanoate
- IUPAC Name:
- CAS:
- CID: -663
- InChiKey: WLAMNBDJUVNPJU-UHFFFAOYSA-M
- InChi: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1
- CanoSmiles: [O-]C(=O)C(CC)C
- IsoSmiles: CCC(C)C([O-])=O
