200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 139994-93-7
139994-93-7 | 1H-Indole, 1-acetyl-3-(dicyanomethylene)-2,3-dihydro-
CAS No: 139994-93-7 Catalog No: AG007YZE MDL No:
Product Description
Catalog Number:
AG007YZE
Chemical Name:
1H-Indole, 1-acetyl-3-(dicyanomethylene)-2,3-dihydro-
CAS Number:
139994-93-7
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
IUPAC Name:
2-(1-acetyl-2H-indol-3-ylidene)propanedinitrile
InChI:
InChI=1S/C13H9N3O/c1-9(17)16-8-12(10(6-14)7-15)11-4-2-3-5-13(11)16/h2-5H,8H2,1H3
InChI Key:
TYYCVUGFHDUGAS-UHFFFAOYSA-N
SMILES:
N#CC(=C1CN(c2c1cccc2)C(=O)C)C#N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.