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52584-39-1

52584-39-1 structural image
Product Name: 5-ETHYL-5-P-TOLYLBARBITURIC ACID 99+%
Formula: C13H14N2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2085 2085

COMPUTED DESCRIPTORS

Molecular Weight 246.26 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 246.10044231 g/mol
Monoisotopic Mass 246.10044231 g/mol
Topological Polar Surface Area 75.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 364
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