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Homecas155431-04-2

155431-04-2

155431-04-2 structural image
Product Name: Pentanoic acid, 3-hydroxy-4-oxo-, ethyl ester
Formula: C7H12O4
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COMPUTED DESCRIPTORS

Molecular Weight 160.17 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 160.07355886 g/mol
Monoisotopic Mass 160.07355886 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 153
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