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87696-38-6 | 2(3H)-Oxazolone, 4,5-diphenyl-3-(1,2-propadienyl)-
CAS No: 87696-38-6 Catalog No: AG008DU3 MDL No:
Product Description
Catalog Number:
AG008DU3
Chemical Name:
2(3H)-Oxazolone, 4,5-diphenyl-3-(1,2-propadienyl)-
CAS Number:
87696-38-6
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
4,5-diphenyl-3-propa-1,2-dienyl-1,3-oxazol-2-one
InChI:
InChI=1S/C18H13NO2/c1-2-13-19-16(14-9-5-3-6-10-14)17(21-18(19)20)15-11-7-4-8-12-15/h3-13H,1H2
InChI Key:
PBPJJJMNLPRLOH-UHFFFAOYSA-N
SMILES:
C=C=Cn1c(=O)oc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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