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82231-51-4

82231-51-4 structural image
Product Name: 4-METHYLPYRAZOLE-5-CARBOXYLIC ACID
Formula: C5H6N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 126.11 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 126.042927438 g/mol
Monoisotopic Mass 126.042927438 g/mol
Topological Polar Surface Area 66 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 126
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-methyl-pyrazole-3-carboxylic acid is a memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole.