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1076-88-6

1076-88-6 structural image
Product Name: 3,4,5-TRIMETHYLBENZOIC ACID
Formula: C10H12O2
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COMPUTED DESCRIPTORS

Molecular Weight 164.20 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 164.083729621 g/mol
Monoisotopic Mass 164.083729621 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 165
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