8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
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8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
74039-68-2
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Formula:
C13H16N4O2
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Chemical Name:
8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
8-(3-Cyclohexen-1-yl)theophylline; 1H-Purine-2,6-dione,8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl; Theophylline,8-(3-cyclohexen-1-yl);
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CAS No:
8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
260.29200
260.12732577 g/mol
106214
Computed Properties
Molecular Weight:260.29
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:260.12732577
Monoisotopic Mass:260.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:19
Complexity:436
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
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