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


Chemical Name: Butanoic acid, 3,3-dimethyl-2-oxo-
CAS Number: 815-17-8
Product Number: AG0033HL(AGN-PC-0JKB0C)
Synonyms:
MDL No:
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties


Properties
MP:
90.5°C
BP:
182.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4270-1.4320
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
141
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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