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484-38-8

484-38-8 structural image
Product Name: isatic acid
Formula: C8H7NO3
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COMPUTED DESCRIPTORS

Molecular Weight 165.15 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 165.042593085 g/mol
Monoisotopic Mass 165.042593085 g/mol
Topological Polar Surface Area 80.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 203
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

2-aminophenylglyoxylic acid is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group. It has a role as a bacterial xenobiotic metabolite. It is a 2-oxo monocarboxylic acid and a substituted aniline. It is functionally related to a glyoxylic acid. It is a conjugate acid of a 2-aminophenylglyoxylate.