CAS 923-11-5 Isopropyl pyruvate (HCID 9964097)

Substructure search Find similar structures

Basic information

CAS: 923-11-5
Standard SMILES: CC(=O)C(=O)OC(C)C
InChIKey: WUBJISGMPZWFKY-UHFFFAOYSA-N
Molecular formula: C6H10O3
Average molar mass: 130.14 g/mol
Monoisotopic mass: 130.06299418

Names & identifiers

Preferred name: Isopropyl pyruvate
IUPAC: propan-2-yl 2-oxopropanoate
English name: isopropyl 2-oxopropanoate
Molecular formula: C6H10O3
Molecular weight: 130.14

Names & synonyms

923-11-5isopropyl pyruvateDTXSID20433351RefChem:349829DTXCID40384179isopropyl 2-oxopropanoatePropan-2-yl 2-oxopropanoatePropanoic acid, 2-oxo-, 1-methylethyl esterMFCD18642773isopropylpyruvateisopropyl2-oxopropanoateSCHEMBL427360

Show more names

WUBJISGMPZWFKY-UHFFFAOYSA-NCS-M0668AKOS006371533CS-13694SY287177DB-351715Q63395691

Database identifiers

CAS: 923-11-5
PubChem CID: 9964097
DTXSID: DTXSID20433351
Nikkaji: J354.573C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 126

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2918300090 · 2918300090