Basic information
- CAS
66841-52-9- Standard SMILES
CCOC(=O)[C@@H](C)C(C)=O- InChIKey
FNENWZWNOPCZGK-YFKPBYRVSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Butanoic acid, 2-methyl-3-oxo-, ethyl ester, (S)-
- IUPAC
- ethyl (2S)-2-methyl-3-oxobutanoate
Names & synonyms
0KK1QI203IButanoic acid, 2-methyl-3-oxo-, ethyl ester, (S)-66841-52-9RefChem:1080320UNII-0KK1QI203Iethyl (2S)-2-methyl-3-oxobutanoateFNENWZWNOPCZGK-YFKPBYRVSA-N(S)-ethyl ester2-methyl-3-oxo-butanoic acid(R,S)-2-Methyl-3-oxo-butyric acid ethyl esterQ27236903
Database identifiers
- CAS
66841-52-9- PubChem CID
- 643167
- UNII
- 0KK1QI203I
- Nikkaji
- J1.324.214C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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