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823813-50-9 | 5(4H)-Oxazolone, 2-phenyl-4-(4-phenylcyclohexylidene)-
CAS No: 823813-50-9 Catalog No: AG005CT5 MDL No:
Product Description
Catalog Number:
AG005CT5
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-(4-phenylcyclohexylidene)-
CAS Number:
823813-50-9
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
2-phenyl-4-(4-phenylcyclohexylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C21H19NO2/c23-21-19(22-20(24-21)18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-10,16H,11-14H2
InChI Key:
DYTRZYGEBFJWFT-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=C1CCC(CC1)c1ccccc1)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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