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99898-63-2 | 3-PHENYL-5,7-DIHYDROXYPYRAZOLO[1,5-A]PYRIMIDINE
CAS No: 99898-63-2 Catalog No: AG003W0H MDL No:
Product Description
Catalog Number:
AG003W0H
Chemical Name:
3-PHENYL-5,7-DIHYDROXYPYRAZOLO[1,5-A]PYRIMIDINE
CAS Number:
99898-63-2
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
7-hydroxy-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)
InChI Key:
UMOILRYDPQMJET-UHFFFAOYSA-N
SMILES:
Oc1cc(O)n2c(n1)c(cn2)c1ccccc1
UNII:
DS43EFQ0FA
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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