2-methylpropanoate | SBID = 1684 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.5 | ||
| 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: | 72.5 | ||
| Sum Formula: | C4H7O2- | ||
| M / g/mol: | 87.1 | ||
| Complexity: | 51.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 2-methylpropanoate
- Preferred Abbreviation: 2-Methylpropanoate
- IUPAC Name: 2-methylpropanoate
- CAS: 5711-69-3
- CID: 165337
- InChiKey: KQNPFQTWMSNSAP-UHFFFAOYSA-M
- InChi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1
- CanoSmiles: CC(C)C(=O)[O-]
- IsoSmiles: CC(C)C(=O)[O-]
