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Home > Indoles and Oxindole > 86203-25-0
86203-25-0 | 1(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[2,3-dipropyl-
CAS No: 86203-25-0 Catalog No: AG004SQJ MDL No:
Product Description
Catalog Number:
AG004SQJ
Chemical Name:
1(7H)-Indolizinone, 7,7'-(1,2-ethanediylidene)bis[2,3-dipropyl-
CAS Number:
86203-25-0
Molecular Formula:
C30H36N2O2
Molecular Weight:
456.6190
IUPAC Name:
7-[2-(1-oxo-2,3-dipropylindolizin-7-ylidene)ethylidene]-2,3-dipropylindolizin-1-one
InChI:
InChI=1S/C30H36N2O2/c1-5-9-23-25(11-7-3)31-17-15-21(19-27(31)29(23)33)13-14-22-16-18-32-26(12-8-4)24(10-6-2)30(34)28(32)20-22/h13-20H,5-12H2,1-4H3
InChI Key:
YPOZRJPFKJOHOW-UHFFFAOYSA-N
SMILES:
CCCC1=C(CCC)C(=O)c2n1ccc(=CC=c1ccn3c(c1)C(=O)C(=C3CCC)CCC)c2
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.278g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.63g/mol
Monoisotopic Mass:
456.278g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.1
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