200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 76751-00-3
76751-00-3 | Acetamide, N-[1-(dicyanomethylene)-1H-isoindol-3-yl]-
CAS No: 76751-00-3 Catalog No: AG005UQN MDL No:
Product Description
Catalog Number:
AG005UQN
Chemical Name:
Acetamide, N-[1-(dicyanomethylene)-1H-isoindol-3-yl]-
CAS Number:
76751-00-3
Molecular Formula:
C13H8N4O
Molecular Weight:
236.2288
IUPAC Name:
N-[3-(dicyanomethylidene)isoindol-1-yl]acetamide
InChI:
InChI=1S/C13H8N4O/c1-8(18)16-13-11-5-3-2-4-10(11)12(17-13)9(6-14)7-15/h2-5H,1H3,(H,16,17,18)
InChI Key:
FSFBDJWOVFCQNZ-UHFFFAOYSA-N
SMILES:
N#CC(=C1N=C(c2c1cccc2)NC(=O)C)C#N
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.234g/mol
Monoisotopic Mass:
236.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.