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Home > Indoles and Oxindole > 84920-07-0
84920-07-0 | Propanedinitrile, [[2-(acetyloxy)-1-methyl-3-indolizinyl]methylene]-
CAS No: 84920-07-0 Catalog No: AG004PPV MDL No:
Product Description
Catalog Number:
AG004PPV
Chemical Name:
Propanedinitrile, [[2-(acetyloxy)-1-methyl-3-indolizinyl]methylene]-
CAS Number:
84920-07-0
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
[3-(2,2-dicyanoethenyl)-1-methylindolizin-2-yl] acetate
InChI:
InChI=1S/C15H11N3O2/c1-10-13-5-3-4-6-18(13)14(7-12(8-16)9-17)15(10)20-11(2)19/h3-7H,1-2H3
InChI Key:
BLYIIRHNURVSKR-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c(OC(=O)C)c(c2n1cccc2)C)C#N
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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