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4609-45-4 | Propanedinitrile, (1-methyl-2(1H)-quinolinylidene)-
CAS No: 4609-45-4 Catalog No: AG006XG2 MDL No:
Product Description
Catalog Number:
AG006XG2
Chemical Name:
Propanedinitrile, (1-methyl-2(1H)-quinolinylidene)-
CAS Number:
4609-45-4
Molecular Formula:
C13H9N3
Molecular Weight:
207.2307
IUPAC Name:
2-(1-methylquinolin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C13H9N3/c1-16-12-5-3-2-4-10(12)6-7-13(16)11(8-14)9-15/h2-7H,1H3
InChI Key:
LCUMKQMOTLSERH-UHFFFAOYSA-N
SMILES:
N#CC(=c1ccc2c(n1C)cccc2)C#N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.236g/mol
Monoisotopic Mass:
207.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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