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89321-40-4 | Quinolinium, 3-cyano-1-[(4-methylphenyl)methyl]-
CAS No: 89321-40-4 Catalog No: AG003ZU8 MDL No:
Product Description
Catalog Number:
AG003ZU8
Chemical Name:
Quinolinium, 3-cyano-1-[(4-methylphenyl)methyl]-
CAS Number:
89321-40-4
Molecular Formula:
C18H15N2+
Molecular Weight:
259.3251
IUPAC Name:
1-[(4-methylphenyl)methyl]quinolin-1-ium-3-carbonitrile
InChI:
InChI=1S/C18H15N2/c1-14-6-8-15(9-7-14)12-20-13-16(11-19)10-17-4-2-3-5-18(17)20/h2-10,13H,12H2,1H3/q+1
InChI Key:
PCUHSSIUDLCCOR-UHFFFAOYSA-N
SMILES:
N#Cc1c[n+](Cc2ccc(cc2)C)c2c(c1)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.124g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.332g/mol
Monoisotopic Mass:
259.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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