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7008-42-6

7008-42-6 structural image
Product Name: Acronine
Formula: C20H19NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Acronycine is a yellow powder. (NTP, 1992)
Color/Form Yellow needles from ethanol
Melting Point 347 to 349 °F (NTP, 1992)
Solubility less than 1 mg/mL at 64 °F (NTP, 1992)
LogP log Kow = 3.67
Decomposition When heated to decomposition it emits toxic fumes of /nitric oxides/
Kovats Retention Index 3078

COMPUTED DESCRIPTORS

Molecular Weight 321.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 321.13649347 g/mol
Monoisotopic Mass 321.13649347 g/mol
Topological Polar Surface Area 38.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 543
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

Acronycine is a yellow powder. (NTP, 1992)