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833446-78-9 | 4(5H)-Benzoxazolone, 2-ethenyl-6,7-dihydro-6-phenyl-
CAS No: 833446-78-9 Catalog No: AG004SS0 MDL No:
Product Description
Catalog Number:
AG004SS0
Chemical Name:
4(5H)-Benzoxazolone, 2-ethenyl-6,7-dihydro-6-phenyl-
CAS Number:
833446-78-9
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-ethenyl-6-phenyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
InChI:
InChI=1S/C15H13NO2/c1-2-14-16-15-12(17)8-11(9-13(15)18-14)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChI Key:
OMCBHWLQZNURPY-UHFFFAOYSA-N
SMILES:
C=Cc1nc2c(o1)CC(CC2=O)c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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