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28845-94-5

28845-94-5 structural image
Product Name: DL-TROPIC ACID
Formula: C9H10O3
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COMPUTED DESCRIPTORS

Molecular Weight 166.17 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 166.062994177 g/mol
Monoisotopic Mass 166.062994177 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 150
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

PRODUCT INTRODUCTION

description

Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It is functionally related to a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.