CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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.