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935-72-8

935-72-8 structural image
Product Name: 1H-pyrrole-3,4-dicarboxylic acid
Formula: C6H5NO4
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COMPUTED DESCRIPTORS

Molecular Weight 155.11 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 155.02185764 g/mol
Monoisotopic Mass 155.02185764 g/mol
Topological Polar Surface Area 90.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 171
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

Pyrrole-3,4-dicarboxylic acid is a pyrroledicarboxylic acid in which the two carboxy groups are located at positions 3 and 4. It has a role as a metabolite.