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3270-98-2

3270-98-2 structural image
Product Name: hydroxymuconic semialdehyde
Formula: C6H6O4
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COMPUTED DESCRIPTORS

Molecular Weight 142.11 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 142.02660867 g/mol
Monoisotopic Mass 142.02660867 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid is a 2-hydroxy-6-oxohexa-2,4-dienoic acid having (2E,4Z)-configuration. It is a conjugate acid of a (2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoate.