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Home > Indoles and Oxindole > 84920-09-2
84920-09-2 | Propanedinitrile, [[2-(acetyloxy)-1-phenyl-3-indolizinyl]methylene]-
CAS No: 84920-09-2 Catalog No: AG004PPU MDL No:
Product Description
Catalog Number:
AG004PPU
Chemical Name:
Propanedinitrile, [[2-(acetyloxy)-1-phenyl-3-indolizinyl]methylene]-
CAS Number:
84920-09-2
Molecular Formula:
C20H13N3O2
Molecular Weight:
327.3361
IUPAC Name:
[3-(2,2-dicyanoethenyl)-1-phenylindolizin-2-yl] acetate
InChI:
InChI=1S/C20H13N3O2/c1-14(24)25-20-18(11-15(12-21)13-22)23-10-6-5-9-17(23)19(20)16-7-3-2-4-8-16/h2-11H,1H3
InChI Key:
OQHMQLICLMCMHB-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1n2ccccc2c(c1OC(=O)C)c1ccccc1)C#N
Properties
Complexity:
614
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:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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