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8002-89-9

8002-89-9 structural image
Product Name: THEOPHYLLOL
Formula: C9H14N4Na2O4
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COMPUTED DESCRIPTORS

Molecular Weight 284.18 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 284.04974338 g/mol
Monoisotopic Mass 284.04974338 g/mol
Topological Polar Surface Area 94.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 307
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 4
Compound Is Canonicalized Yes

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