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24502-79-2

24502-79-2 structural image
Product Name: (BETA,BETA-DIMETHYLACRYL)SHIKONIN
Formula: C21H22O6
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COMPUTED DESCRIPTORS

Molecular Weight 370.4 g/mol
XLogP3 5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 370.14163842 g/mol
Monoisotopic Mass 370.14163842 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 706
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Beta,beta-Dimethylacrylshikonin is a hydroxy-1,4-naphthoquinone.