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84607-05-6 | Benzo[f]quinolinium, 3-(1,3-benzodioxol-5-yl)-1,4-dimethyl-
CAS No: 84607-05-6 Catalog No: AG004Q9R MDL No:
Product Description
Catalog Number:
AG004Q9R
Chemical Name:
Benzo[f]quinolinium, 3-(1,3-benzodioxol-5-yl)-1,4-dimethyl-
CAS Number:
84607-05-6
Molecular Formula:
C22H18NO2+
Molecular Weight:
328.3838
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-1,4-dimethylbenzo[f]quinolin-4-ium
InChI:
InChI=1S/C22H18NO2/c1-14-11-19(16-8-10-20-21(12-16)25-13-24-20)23(2)18-9-7-15-5-3-4-6-17(15)22(14)18/h3-12H,13H2,1-2H3/q+1
InChI Key:
GIFWAMUUVURYPV-UHFFFAOYSA-N
SMILES:
C[n+]1c(cc(c2c1ccc1c2cccc1)C)c1ccc2c(c1)OCO2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.134g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.391g/mol
Monoisotopic Mass:
328.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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