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1453-50-5

1453-50-5 structural image
Product Name: 4-(2,5-DIMETHYLPHENYL)BUTYRIC ACID
Formula: C7H11NO
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COMPUTED DESCRIPTORS

Molecular Weight 125.17 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 125.084063974 g/mol
Monoisotopic Mass 125.084063974 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 136
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