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88584-15-0 | Oxazolo[5,4-d]pyrimidin-7(4H)-one, 5-methyl-2-phenyl-
CAS No: 88584-15-0 Catalog No: AG004BO2 MDL No:
Product Description
Catalog Number:
AG004BO2
Chemical Name:
Oxazolo[5,4-d]pyrimidin-7(4H)-one, 5-methyl-2-phenyl-
CAS Number:
88584-15-0
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
5-methyl-2-phenyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C12H9N3O2/c1-7-13-10(16)9-12(14-7)17-11(15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChI Key:
HKOSPKUDJAFFEG-UHFFFAOYSA-N
SMILES:
Cc1nc(=O)c2c([nH]1)oc(n2)c1ccccc1
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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