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83136-88-3

83136-88-3 structural image
Product Name: CYCLOPIAZONIC ACID
Formula: C20H20N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 336.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 336.14739250 g/mol
Monoisotopic Mass 336.14739250 g/mol
Topological Polar Surface Area 73.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 697
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Alpha-cyclopiazonic acid is a member of alpha-cyclopiazonic acids. It is a conjugate acid of an alpha-cyclopiazonate. It is a tautomer of a (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one.