Basic information
- CAS
87884-36-4- Standard SMILES
CCOC(=O)[C@H](C)CO- InChIKey
SLKZIPLLOLLLPQ-RXMQYKEDSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- Ethyl (2R)-3-hydroxy-2-methylpropanoate
- IUPAC
- ethyl (2R)-3-hydroxy-2-methylpropanoate
- English name
- (R)-(-)-3-Hydroxy-2-methyl-propionsaeureethylester
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
Ethyl (2R)-3-hydroxy-2-methylpropanoate87884-36-4SCHEMBL27823457DTXSID10518222SLKZIPLLOLLLPQ-RXMQYKEDSA-Nethyl (R)-(-)-3-hydroxy-isobutyratetube1055Ethyl (R)-3-hydroxy-2-methylpropanoate(R)-(-)-3-Hydroxy-2-methyl-propionsaeureethylesterPropanoic acid, 3-hydroxy-2-methyl-, ethyl ester, (2R)-
Database identifiers
- CAS
87884-36-4- PubChem CID
- 13102432
- DTXSID
DTXSID10518222- Nikkaji
- J2.502.928C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Physicochemical properties
- Boiling point
- 203.9 · 203.9±13.0 °C(Predicted)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.10(Predicted)
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
Related reactions
1 records
Compound notes
Loading…