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41654-04-0

41654-04-0 structural image
Product Name: 5-methyl-4-oxo-hexanoic acid
Formula: C7H12O3
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COMPUTED DESCRIPTORS

Molecular Weight 144.17 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 144.078644241 g/mol
Monoisotopic Mass 144.078644241 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 138
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

PRODUCT INTRODUCTION

description

5-Methyl-4-oxohexanoic acid is a natural product found in Nicotiana tabacum with data available.