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Home > Indoles and Oxindole > 86193-26-2
86193-26-2 | 1,3-Cyclohexanedione, 2-(1-oxo-2,3-diphenyl-7(1H)-indolizinylidene)-
CAS No: 86193-26-2 Catalog No: AG004NKA MDL No:
Product Description
Catalog Number:
AG004NKA
Chemical Name:
1,3-Cyclohexanedione, 2-(1-oxo-2,3-diphenyl-7(1H)-indolizinylidene)-
CAS Number:
86193-26-2
Molecular Formula:
C26H19NO3
Molecular Weight:
393.4340
IUPAC Name:
2-(1-oxo-2,3-diphenylindolizin-7-ylidene)cyclohexane-1,3-dione
InChI:
InChI=1S/C26H19NO3/c28-21-12-7-13-22(29)23(21)19-14-15-27-20(16-19)26(30)24(17-8-3-1-4-9-17)25(27)18-10-5-2-6-11-18/h1-6,8-11,14-16H,7,12-13H2
InChI Key:
CPMJIKIKWQVMJO-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1=c1ccn2c(c1)C(=O)C(=C2c1ccccc1)c1ccccc1
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.442g/mol
Monoisotopic Mass:
393.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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