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1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione structure

CAS No:
85884-03-3
Formula:
C14H14N4O2
Chemical Name:
1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione
Synonyms:
NSC293947;CHEMBL10937;85884-03-3;SCHEMBL8596143;DTXSID40315322;BDBM50021006;ZINC96363663;MCULE-2297318404;NSC-293947;8-(2-Methylphenyl)-1,3-dimethylxanthine;1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione

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1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

270.29 g/mol

Exact Mass：

270.11167570 g/mol

NSC Number：

293947

DSSTox ID：

DTXSID40315322

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:270.29
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:270.11167570
Monoisotopic Mass:270.11167570
Topological Polar Surface Area:69.3
Heavy Atom Count:20
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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