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55365-63-4

55365-63-4 structural image
Product Name: GANGALEOIDIN
Formula: C18H14Cl2O7
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 186.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 413.2 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 412.0116582 g/mol
Monoisotopic Mass 412.0116582 g/mol
Topological Polar Surface Area 91.3 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 588
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

8,10-dichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester is a carbonyl compound.