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33360-18-8 | Oxazolo[5,4-d]pyrimidin-7(6H)-one,2-phenyl-
CAS No: 33360-18-8 Catalog No: AG007FVI MDL No:
Product Description
Catalog Number:
AG007FVI
Chemical Name:
Oxazolo[5,4-d]pyrimidin-7(6H)-one,2-phenyl-
CAS Number:
33360-18-8
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
2-phenyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C11H7N3O2/c15-9-8-11(13-6-12-9)16-10(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
InChI Key:
DYVNFZCNAOKIPR-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1nc(o2)c1ccccc1
NSC Number:
137474
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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