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73987-47-0 | Quinolinium, 8-hydroxy-2-(p-hydroxystyryl)-1-methyl-, methylsulfate
CAS No: 73987-47-0 Catalog No: AG005IQ5 MDL No:
Product Description
Catalog Number:
AG005IQ5
Chemical Name:
Quinolinium, 8-hydroxy-2-(p-hydroxystyryl)-1-methyl-, methylsulfate
CAS Number:
73987-47-0
Molecular Formula:
C19H19NO6S
Molecular Weight:
389.4223
IUPAC Name:
2-[2-(4-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol;methyl sulfate
InChI:
InChI=1S/C18H15NO2.CH4O4S/c1-19-15(9-5-13-6-11-16(20)12-7-13)10-8-14-3-2-4-17(21)18(14)19;1-5-6(2,3)4/h2-12,21H,1H3;1H3,(H,2,3,4)
InChI Key:
ADCKCUOJVJPXAY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Cc1ccc2c([n+]1C)c(O)ccc2.COS(=O)(=O)[O-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.093g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.422g/mol
Monoisotopic Mass:
389.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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