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13148-83-9

13148-83-9 structural image
Product Name: 3-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
Formula: C8H12O3
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COMPUTED DESCRIPTORS

Molecular Weight 156.18 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 156.078644241 g/mol
Monoisotopic Mass 156.078644241 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 174
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