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160687-68-3 | 3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-7-one
CAS No: 160687-68-3 Catalog No: AG01C1OY MDL No:MFCD24596465
Product Description
Catalog Number:
AG01C1OY
Chemical Name:
3-phenyl-6H,7H-[1,2]oxazolo[4,5-d]pyrimidin-7-one
CAS Number:
160687-68-3
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
MDL Number:
MFCD24596465
IUPAC Name:
3-phenyl-6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C11H7N3O2/c15-11-10-9(12-6-13-11)8(14-16-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
InChI Key:
DPIMJNAXJMQSOO-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1onc2c1ccccc1
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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