Benzenebutanoic acid, a-methyl-g-oxo-


Chemical Name: Benzenebutanoic acid, a-methyl-g-oxo-
CAS Number: 1771-65-9
Product Number: AG00253Z(AGN-PC-0QB2JQ)
Synonyms:
MDL No:
Molecular Formula: C11H12O3
Molecular Weight: 192.2112

Identification/Properties


Properties
MP:
139-141°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
192.214g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
192.079g/mol
Monoisotopic Mass:
192.079g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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


NMR Spectrum


Other Analytical Data


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