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36978-50-4

36978-50-4 structural image
Product Name: 5-(2-METHYLPHENYL)-5-OXOVALERIC ACID
Formula: C12H14O3
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COMPUTED DESCRIPTORS

Molecular Weight 206.24 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 206.094294304 g/mol
Monoisotopic Mass 206.094294304 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 235
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-(2-Methylphenyl)-5-oxovaleric acid is a natural product found in Streptomyces nitrosporeus with data available.