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104022-83-5

104022-83-5 structural image
Product Name: 4-Chloro-2,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
Formula: C16H11ClO6
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COMPUTED DESCRIPTORS

Molecular Weight 334.71 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 334.0244158 g/mol
Monoisotopic Mass 334.0244158 g/mol
Topological Polar Surface Area 93.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 497
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-Chloropinselin is a natural product found in Monilinia fructicola with data available.