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72916-61-1

72916-61-1 structural image
Product Name: O-Methylcedrelopsin
Formula: C16H18O4
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COMPUTED DESCRIPTORS

Molecular Weight 274.31 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 274.12050905 g/mol
Monoisotopic Mass 274.12050905 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 409
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

2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)- is a natural product found in Zanthoxylum ailanthoides, Rubia yunnanensis, and other organisms with data available.