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201024-62-6 | 4(5H)-Benzoxazolone, 6,7-dihydro-2-phenyl-
CAS No: 201024-62-6 Catalog No: AG002D5G MDL No:
Product Description
Catalog Number:
AG002D5G
Chemical Name:
4(5H)-Benzoxazolone, 6,7-dihydro-2-phenyl-
CAS Number:
201024-62-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-phenyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
InChI:
InChI=1S/C13H11NO2/c15-10-7-4-8-11-12(10)14-13(16-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
CQCWLXKHEGFRSR-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1nc(o2)c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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