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99946-04-0

99946-04-0 structural image
Product Name: Isoboonein
Formula: C9H14O3
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COMPUTED DESCRIPTORS

Molecular Weight 170.21 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 170.094294304 g/mol
Monoisotopic Mass 170.094294304 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 202
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)- is a natural product found in Caiophora coronata, Cymbaria mongolica, and other organisms with data available.