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4664-21-5 | 2-(1,2-dihydropyridin-2-ylidene)propanedinitrile
CAS No: 4664-21-5 Catalog No: AG01C4NP MDL No:MFCD03412471
Product Description
Catalog Number:
AG01C4NP
Chemical Name:
2-(1,2-dihydropyridin-2-ylidene)propanedinitrile
CAS Number:
4664-21-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD03412471
IUPAC Name:
2-(1H-pyridin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C8H5N3/c9-5-7(6-10)8-3-1-2-4-11-8/h1-4,11H
InChI Key:
WYYSZKPMAWHXPG-UHFFFAOYSA-N
SMILES:
N#CC(=c1cccc[nH]1)C#N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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