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89004-10-4 | Cyclohexanone, 2-[(4,5-diphenyl-2-oxazolyl)methyl]-
CAS No: 89004-10-4 Catalog No: AG0088VN MDL No:
Product Description
Catalog Number:
AG0088VN
Chemical Name:
Cyclohexanone, 2-[(4,5-diphenyl-2-oxazolyl)methyl]-
CAS Number:
89004-10-4
Molecular Formula:
C22H21NO2
Molecular Weight:
331.4076
IUPAC Name:
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C22H21NO2/c24-19-14-8-7-13-18(19)15-20-23-21(16-9-3-1-4-10-16)22(25-20)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChI Key:
MEQJPXYKIAFQHB-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.415g/mol
Monoisotopic Mass:
331.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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