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89004-09-1 | 2-Butanone, 4-(4,5-diphenyl-2-oxazolyl)-
CAS No: 89004-09-1 Catalog No: AG0088VO MDL No:
Product Description
Catalog Number:
AG0088VO
Chemical Name:
2-Butanone, 4-(4,5-diphenyl-2-oxazolyl)-
CAS Number:
89004-09-1
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one
InChI:
InChI=1S/C19H17NO2/c1-14(21)12-13-17-20-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChI Key:
WSEFRAQEIQNROX-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
358
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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