1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
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1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
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CAS No:
1094-63-9
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Formula:
C13H11N5O4
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Chemical Name:
1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
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Synonyms:
CHEMBL416884;NSC101804;1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione;1094-63-9;SCHEMBL515964;8-(4-Nitrophenyl)theophylline;BDBM82041;ZINC1674422;BDBM50020964;PDSP1_000992;PDSP2_000976;NSC-101804;1,3-Dimethyl-8-(4-nitrophenyl)xanthine;1,3-Dimethyl-8-(4-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
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CAS No:
1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione Basic Attributes
301.26 g/mol
301.08110385 g/mol
101804
Computed Properties
Molecular Weight:301.26
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:301.08110385
Monoisotopic Mass:301.08110385
Topological Polar Surface Area:115
Heavy Atom Count:22
Complexity:499
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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