Butanoic acid, 2-methyl-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 2-methyl-3-oxo-, ethyl ester
CAS Number: 609-14-3
Product Number: AG0034UL(AGN-PC-0JK5NK)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties


Properties
MP:
-45°C
BP:
185.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.418(lit.)
Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
144.079g/mol
Monoisotopic Mass:
144.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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