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111342-31-5

111342-31-5 structural image
Product Name: 4-HYDROXYPHENOBARBITAL-D5
Formula: C12H12N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 253.26 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 253.11109060 g/mol
Monoisotopic Mass 253.11109060 g/mol
Topological Polar Surface Area 95.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 366
Isotope Atom Count 5
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

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