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


Chemical Name: Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester
CAS Number: 38923-57-8
Product Number: AG003RLA(AGN-PC-0JM27I)
Synonyms:
MDL No: MFCD00026232
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties


Properties
BP:
169°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4205
Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
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:
158
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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