Butanoic acid, 2-oxo-, methyl ester


Chemical Name: Butanoic acid, 2-oxo-, methyl ester
CAS Number: 3952-66-7
Product Number: AG003RP2(AGN-PC-0JSNKO)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
MP:
-47°C
BP:
154°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4099 (589.3 nm 30℃)
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
106
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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