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157676-96-5

157676-96-5 structural image
Product Name: Aspinonene
Formula: C9H16O4
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COMPUTED DESCRIPTORS

Molecular Weight 188.22 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 188.10485899 g/mol
Monoisotopic Mass 188.10485899 g/mol
Topological Polar Surface Area 73.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 204
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aspinonene is a natural product found in Aspergillus ostianus and Aspergillus ochraceus with data available.