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13223-04-6 | 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione, 5-hydroxy-2-methyl-
CAS No: 13223-04-6 Catalog No: AG0010FH MDL No:
Product Description
Catalog Number:
AG0010FH
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione, 5-hydroxy-2-methyl-
CAS Number:
13223-04-6
Molecular Formula:
C6H6N4O3
Molecular Weight:
182.1368
IUPAC Name:
5-hydroxy-2-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C6H6N4O3/c1-9-2-3-4(8-9)7-6(12)10(13)5(3)11/h2,13H,1H3,(H,7,8,12)
InChI Key:
OPNIJJNIGLYAHI-UHFFFAOYSA-N
SMILES:
Cn1[nH]c2c(c1)c(=O)n(c(=O)n2)O
NSC Number:
101742
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.139g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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