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88456-59-1 | Benzo[f]quinolinium, 3-(2,4-dimethoxyphenyl)-1,4-dimethyl-
CAS No: 88456-59-1 Catalog No: AG004DXL MDL No:
Product Description
Catalog Number:
AG004DXL
Chemical Name:
Benzo[f]quinolinium, 3-(2,4-dimethoxyphenyl)-1,4-dimethyl-
CAS Number:
88456-59-1
Molecular Formula:
C23H22NO2+
Molecular Weight:
344.4263
IUPAC Name:
3-(2,4-dimethoxyphenyl)-1,4-dimethylbenzo[f]quinolin-4-ium
InChI:
InChI=1S/C23H22NO2/c1-15-13-21(19-11-10-17(25-3)14-22(19)26-4)24(2)20-12-9-16-7-5-6-8-18(16)23(15)20/h5-14H,1-4H3/q+1
InChI Key:
WFZIAQJEOUSNQY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1c1cc(C)c2c([n+]1C)ccc1c2cccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.165g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.434g/mol
Monoisotopic Mass:
344.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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