200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 84920-08-1
84920-08-1 | Propanedinitrile, [[2-(acetyloxy)-1-ethyl-3-indolizinyl]methylene]-
CAS No: 84920-08-1 Catalog No: AG004UY8 MDL No:
Product Description
Catalog Number:
AG004UY8
Chemical Name:
Propanedinitrile, [[2-(acetyloxy)-1-ethyl-3-indolizinyl]methylene]-
CAS Number:
84920-08-1
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
[3-(2,2-dicyanoethenyl)-1-ethylindolizin-2-yl] acetate
InChI:
InChI=1S/C16H13N3O2/c1-3-13-14-6-4-5-7-19(14)15(8-12(9-17)10-18)16(13)21-11(2)20/h4-8H,3H2,1-2H3
InChI Key:
HIQSKHMTQQPTSP-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c(OC(=O)C)c(c2n1cccc2)CC)C#N
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.