methyl 2-hydroxypropanoate | SBID = 2670 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 46.5 | ||
| Ertl TPSA/Å2: | 46.53 | ||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| Hydrophilicity (Cheng XLogP3): | -0.14 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 81.5 | ||
| Sum Formula: | C4H8O3 | ||
| M / g/mol: | 104.1 | ||
| Complexity: | 69.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: methyl 2-hydroxypropanoate
- Preferred Abbreviation: METHYL LACTATE
- IUPAC Name: methyl 2-hydroxypropanoate
- CAS:
- CID: 11040
- InChiKey: LPEKGGXMPWTOCB-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
- CanoSmiles: CC(C(=O)OC)O
- IsoSmiles: CC(C(=O)OC)O
