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Home Nitriles Propanedinitrile,2-(1H-indol-3-ylmethylene)-

Propanedinitrile,2-(1H-indol-3-ylmethylene)-

CAS No.:
75629-62-8
Catalog Number:
AG005ANY
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
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Product Description
Catalog Number:
AG005ANY
Chemical Name:
Propanedinitrile,2-(1H-indol-3-ylmethylene)-
CAS Number:
75629-62-8
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
MDL Number:
MFCD00022740
IUPAC Name:
2-(1H-indol-3-ylmethylidene)propanedinitrile
InChI:
InChI=1S/C12H7N3/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-5,8,15H
InChI Key:
KCGMQWDGOQQAGN-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c[nH]c2c1cccc2)C#N
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.209g/mol
Monoisotopic Mass:
193.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and molluscicidal activity of new chromene and pyrano[2,3-c]pyrazole derivatives. Archiv der Pharmazie 20071001
Properties