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Home > Indoles and Oxindole > 86842-68-4
86842-68-4 | Propanedinitrile, [[2-(2-oxo-2-phenylethoxy)-3-indolizinyl]methylene]-
CAS No: 86842-68-4 Catalog No: AG004QWN MDL No:
Product Description
Catalog Number:
AG004QWN
Chemical Name:
Propanedinitrile, [[2-(2-oxo-2-phenylethoxy)-3-indolizinyl]methylene]-
CAS Number:
86842-68-4
Molecular Formula:
C20H13N3O2
Molecular Weight:
327.3361
IUPAC Name:
2-[(2-phenacyloxyindolizin-3-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C20H13N3O2/c21-12-15(13-22)10-18-20(11-17-8-4-5-9-23(17)18)25-14-19(24)16-6-2-1-3-7-16/h1-11H,14H2
InChI Key:
UZDHDWAIQYFFRU-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c(OCC(=O)c2ccccc2)cc2n1cccc2)C#N
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.343g/mol
Monoisotopic Mass:
327.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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