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337-47-3

337-47-3 structural image
Product Name: 5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
Formula: C12H16N2Na2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 277.34 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 277.09866828 g/mol
Monoisotopic Mass 277.09866828 g/mol
Topological Polar Surface Area 90.3 Ų
Heavy Atom Count 18
Formal Charge 1
Complexity 346
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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