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1088-32-0 | 5(4H)-Isoxazolone, 3-phenyl-4-(phenylmethylene)-
CAS No: 1088-32-0 Catalog No: AG00831W MDL No:
Product Description
Catalog Number:
AG00831W
Chemical Name:
5(4H)-Isoxazolone, 3-phenyl-4-(phenylmethylene)-
CAS Number:
1088-32-0
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
4-benzylidene-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-11H
InChI Key:
DBPNBHOCUSFGKI-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=Cc1ccccc1)c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes. | Organic letters 20100604 |
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