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15832-30-1 | Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-phenyl-
CAS No: 15832-30-1 Catalog No: AG001Q48 MDL No:
Product Description
Catalog Number:
AG001Q48
Chemical Name:
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-phenyl-
CAS Number:
15832-30-1
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
3-phenyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C11H7N3O2/c15-10-8-9(7-4-2-1-3-5-7)14-16-11(8)13-6-12-10/h1-6H,(H,12,13,15)
InChI Key:
VDZPDZOUXAGXOV-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1c(no2)c1ccccc1
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:
1.1
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