Isobutyl pyruvate

HCID 83084CAS 13051-48-4
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

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

Suppliers2 total

BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

94 records
New reaction record

Linked notes

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