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40469-16-7

40469-16-7 structural image
Product Name: 1-METHYL-5-CYCLOHEXENE-2,3-DICARBOXYLIC ACID
Formula: C9H12O4
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COMPUTED DESCRIPTORS

Molecular Weight 184.19 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 184.07355886 g/mol
Monoisotopic Mass 184.07355886 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 256
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes