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1246816-64-7

1246816-64-7 structural image
Product Name: 1-(3-CARBOXYPROPYL)3,7-DIMETHYL XANTHINE-D6
Formula: C11H8D6N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 272.29 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 272.13916542 g/mol
Monoisotopic Mass 272.13916542 g/mol
Topological Polar Surface Area 95.7 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 414
Isotope Atom Count 6
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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