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484-29-7

484-29-7 structural image
Product Name: DICTAMNINE
Formula: C12H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 135.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 1958.1

COMPUTED DESCRIPTORS

Molecular Weight 199.20 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 199.063328530 g/mol
Monoisotopic Mass 199.063328530 g/mol
Topological Polar Surface Area 35.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 234
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

Dictamnine is an oxacycle, an organonitrogen heterocyclic compound, an organic heterotricyclic compound and an alkaloid antibiotic.