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2929-14-8

2929-14-8 structural image
Product Name: xanthurenic acid 8-methyl ether
Formula: C11H9NO4
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COMPUTED DESCRIPTORS

Molecular Weight 219.19 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 219.05315777 g/mol
Monoisotopic Mass 219.05315777 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 350
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

4-hydroxy-8-methoxyquinaldic acid is a quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8. It has a role as a metabolite, a carcinogenic agent and a mouse metabolite. It is a quinolinemonocarboxylic acid, a monohydroxyquinoline and an aromatic ether. It is functionally related to a kynurenic acid.