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69372-19-6

69372-19-6 structural image
Product Name: PEMIROLAST
Formula: C10H8N6O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from dimethylformamide
Melting Point 310-311 °C (decomposes)
Solubility In water, 1.9X10+4 mg/L at 25 °C /Estimated/
Vapor Pressure 3.3X10-6 mm Hg at 25 °C /Estimated/
LogP 0
Henry's Law Constant Henry's Law constant = 4.9X10-11 atm-cu m/mole at 25 °C /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 3.0X10-11 cu cm/molecule-sec at 25 °C /Estimated/

COMPUTED DESCRIPTORS

Molecular Weight 228.21 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 228.07595890 g/mol
Monoisotopic Mass 228.07595890 g/mol
Topological Polar Surface Area 87.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 489
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

Pemirolast is a pyridopyrimidine.