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93778-31-5

Basic Information
CAS No.: 93778-31-5
Name: Pentanoic acid,4-methyl-2-oxo-, potassium salt (1:1)
Molecular Structure:
Molecular Structure of 93778-31-5 (Pentanoic acid,4-methyl-2-oxo-, potassium salt (1:1))
Formula: C6H10 O3 . K
Molecular Weight: 168.234
Synonyms: Pentanoicacid, 4-methyl-2-oxo-, potassium salt (9CI)
EINECS: 298-166-4
Density: g/cm3
Melting Point: N/A
Boiling Point: 190.5°Cat760mmHg
Flash Point: 83.3°C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 57.20000
LogP: -0.64850
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Chemistry


IUPAC Name: Potassium 4-methyl-2-oxopentanoate
Canonical SMILES: CC(C)CC(=O)C(=O)[O-].[K+]
InChI: InChI=1S/C6H10O3.K/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1 
InChIKey: LBVGRCMWWGZGED-UHFFFAOYSA-M
Molecular Weight: 168.23216 [g/mol]
Molecular Formula: C6H9KO3
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 168.018876
MonoIsotopic Mass: 168.018876
Topological Polar Surface Area: 57.2
Heavy Atom Count: 10
Complexity: 131
EINECS: 298-166-4
Flash Point: 83.3 °C 
Enthalpy of Vaporization: 47.04 kJ/mol 
Boiling Point: 190.5 °C at 760 mmHg 
Vapour Pressure of Potassium 4-methyl-2-oxovalerate (CAS NO.93778-31-5): 0.239 mmHg at 25 °C 

Specification

 Potassium 4-methyl-2-oxovalerate (CAS NO.93778-31-5), its Synonyms are Pentanoic acid, 4-methyl-2-oxo-, potassium salt (1:1) ; Potassium 4-methyl-2-oxopentanoate .