Isobutyl pyruvate
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Basic information
- CAS
13051-48-4- Standard SMILES
CC(=O)C(=O)OCC(C)C- InChIKey
WFERWTFFEKELDJ-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Isobutyl pyruvate
- IUPAC
- 2-methylpropyl 2-oxopropanoate
- English name
- isobutyl pyruvate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
Isobutyl pyruvate2-methylpropyl 2-oxopropanoate34K76F7RR8EINECS 235-929-2Propanoic acid, 2-oxo-, 2-methylpropyl esterDTXSID10156582RefChem:149100DTXCID8079073235-929-213051-48-4isobutyl 2-oxopropanoateiso-butyl pyruvate
Show more names
Pyruvic acid 2-methylpropyl ester2-Oxopropanoic acid isobutyl ester
UNII-34K76F7RR8SCHEMBL1373745NS00024110
Database identifiers
- CAS
13051-48-4- PubChem CID
- 83084
- DTXSID
DTXSID10156582- UNII
- 34K76F7RR8
- EC Number
- 235-929-2
- Nikkaji
- J317.781E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- 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
- 138
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 20 Torr)
- Density
- 0.9891 g/cm3 · 0.9891 g/cm3
- LogP
- 1.214 · 1.214 (est)
- FDA UNII
- 34 K76F7RR8 · 34K76F7RR8
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
94 records
Compound notes
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