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84920-10-5 | Propanedinitrile, [[2-(acetyloxy)-3-indolizinyl]methylene]-
CAS No: 84920-10-5 Catalog No: AG004LXT MDL No:
Product Description
Catalog Number:
AG004LXT
Chemical Name:
Propanedinitrile, [[2-(acetyloxy)-3-indolizinyl]methylene]-
CAS Number:
84920-10-5
Molecular Formula:
C14H9N3O2
Molecular Weight:
251.2402
IUPAC Name:
[3-(2,2-dicyanoethenyl)indolizin-2-yl] acetate
InChI:
InChI=1S/C14H9N3O2/c1-10(18)19-14-7-12-4-2-3-5-17(12)13(14)6-11(8-15)9-16/h2-7H,1H3
InChI Key:
ZDXZGTGVFXQFKL-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c(OC(=O)C)cc2n1cccc2)C#N
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.245g/mol
Monoisotopic Mass:
251.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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