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1012-82-4 | 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-1,3-dimethyl-
CAS No: 1012-82-4 Catalog No: AG0003XN MDL No:
Product Description
Catalog Number:
AG0003XN
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy-1,3-dimethyl-
CAS Number:
1012-82-4
Molecular Formula:
C7H8N4O3
Molecular Weight:
196.1634
IUPAC Name:
7-hydroxy-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C7H8N4O3/c1-9-5-4(11(14)3-8-5)6(12)10(2)7(9)13/h3,14H,1-2H3
InChI Key:
OAJZHQGFGXPEPA-UHFFFAOYSA-N
SMILES:
On1cnc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.166g/mol
Monoisotopic Mass:
196.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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