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765860-91-1 | Quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-
CAS No: 765860-91-1 Catalog No: AG008PZ6 MDL No:
Product Description
Catalog Number:
AG008PZ6
Chemical Name:
Quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-
CAS Number:
765860-91-1
Molecular Formula:
C21H22NO3+
Molecular Weight:
336.4043
IUPAC Name:
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
InChI:
InChI=1S/C21H22NO3/c1-22-16(10-9-15-7-5-6-8-19(15)22)11-12-18-20(24-3)13-17(23-2)14-21(18)25-4/h5-14H,1-4H3/q+1
InChI Key:
HNYCJVFMCMJALP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)OC)C=Cc1ccc2c([n+]1C)cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.16g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.411g/mol
Monoisotopic Mass:
336.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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