1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
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![1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/73ac2fa60e714ecea1cd1f60c7712f29.png "1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione")
1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
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CAS No:
73908-81-3
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Formula:
C14H13N5O4
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Chemical Name:
1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
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Synonyms:
1,3-Dimethyl-8-(o-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione; 8-(o-Nitrobenzyl)theophylline; Theophylline,8-(o-nitrobenzyl);
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CAS No:
1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione Basic Attributes
315.28400
315.09675391
DTXSID60224482
Computed Properties
Molecular Weight:315.28
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:315.09675391
Monoisotopic Mass:315.09675391
Topological Polar Surface Area:115
Heavy Atom Count:23
Complexity:522
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
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