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93832-76-9 | 5(4H)-Oxazolone, 4-[4-(1,1-dimethylethyl)cyclohexylidene]-2-phenyl-
CAS No: 93832-76-9 Catalog No: AG00601N MDL No:
Product Description
Catalog Number:
AG00601N
Chemical Name:
5(4H)-Oxazolone, 4-[4-(1,1-dimethylethyl)cyclohexylidene]-2-phenyl-
CAS Number:
93832-76-9
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
4-(4-tert-butylcyclohexylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C19H23NO2/c1-19(2,3)15-11-9-13(10-12-15)16-18(21)22-17(20-16)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3
InChI Key:
FRSWCKBQPNEKAJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=C1CCC(CC1)C(C)(C)C)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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