104022-83-5
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.