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10127-97-2 Purity
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7-Hydroxy-1,3-dimethylpurine-2,6-dione
CAS
1012-82-4
Catalog Number
ACM1012824
Category
Other Products
Molecular Weight
196.163 g/mol
Molecular Formula
C7H8N4O3
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Specification
Synonyms
7-Hydroxytheophylline, 7-Hydroxytheophyllin, Theophylline, 7-hydroxy-, 7-Hydroxytheophyllin [German], BRN 0616325, CID70537, LS-149577, 5-26-14-00133 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-1,3-dimethyl-, 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-1,3-dimethyl- (9CI), 1012-82-4
IUPAC Name
7-hydroxy-1,3-dimethylpurine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)O
InChI Key
OAJZHQGFGXPEPA-UHFFFAOYSA-N
Boiling Point
472.2ºC at 760mmHg
Flash Point
239.4ºC
Density
1.69g/cm³
Exact Mass
196.06000
H-Bond Acceptor
4
H-Bond Donor
1
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