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13672-64-5

13672-64-5 structural image
Product Name: (2-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER
Formula: C9H14O3
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COMPUTED DESCRIPTORS

Molecular Weight 170.21 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 170.094294304 g/mol
Monoisotopic Mass 170.094294304 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 186
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