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54903-12-7 | 6-benzoylbenzoxazol-2(3H)-one
CAS No: 54903-12-7 Catalog No: AG00DOAW MDL No:
Product Description
Catalog Number:
AG00DOAW
Chemical Name:
6-benzoylbenzoxazol-2(3H)-one
CAS Number:
54903-12-7
IUPAC Name:
6-benzoyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H9NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)
InChI Key:
FNIQWNQNMXTVJJ-UHFFFAOYSA-N
EC Number:
259-388-7
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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