Butanoic acid, 3-methyl-2-oxo-


Chemical Name: Butanoic acid, 3-methyl-2-oxo-
CAS Number: 759-05-7
Product Number: AG0033R2(AGN-PC-00UQEB)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
MP:
31.5℃
BP:
170.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.3850
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
115
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-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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