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82238-49-1 | 2(3H)-Oxazolone, 3-(1-methyl-2-propenyl)-4,5-diphenyl-
CAS No: 82238-49-1 Catalog No: AG008L7Z MDL No:
Product Description
Catalog Number:
AG008L7Z
Chemical Name:
2(3H)-Oxazolone, 3-(1-methyl-2-propenyl)-4,5-diphenyl-
CAS Number:
82238-49-1
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
3-but-3-en-2-yl-4,5-diphenyl-1,3-oxazol-2-one
InChI:
InChI=1S/C19H17NO2/c1-3-14(2)20-17(15-10-6-4-7-11-15)18(22-19(20)21)16-12-8-5-9-13-16/h3-14H,1H2,2H3
InChI Key:
AGWFAGBMYLCQKF-UHFFFAOYSA-N
SMILES:
C=CC(n1c(=O)oc(c1c1ccccc1)c1ccccc1)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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