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121055-10-5

121055-10-5 structural image
Product Name: PCO 400
Formula: C17H17NO4
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COMPUTED DESCRIPTORS

Molecular Weight 299.32 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 299.11575802 g/mol
Monoisotopic Mass 299.11575802 g/mol
Topological Polar Surface Area 79.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 544
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile is a 1-benzopyran.