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16075-63-1 | 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5-hydroxy-1-phenyl-
CAS No: 16075-63-1 Catalog No: AG001VAD MDL No:
Product Description
Catalog Number:
AG001VAD
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5-hydroxy-1-phenyl-
CAS Number:
16075-63-1
Molecular Formula:
C11H8N4O3
Molecular Weight:
244.2062
IUPAC Name:
5-hydroxy-1-phenyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C11H8N4O3/c16-10-8-6-12-14(7-4-2-1-3-5-7)9(8)13-11(17)15(10)18/h1-6,18H,(H,13,17)
InChI Key:
AELOZPCEAZBHGJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2n(ncc2c(=O)n1O)c1ccccc1
NSC Number:
104149
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.21g/mol
Monoisotopic Mass:
244.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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