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89354-59-6 | Pyridinium, 1-methyl-3-(2-phenylethenyl)-, sulfate (1:1)
CAS No: 89354-59-6 Catalog No: AG003XYH MDL No:
Product Description
Catalog Number:
AG003XYH
Chemical Name:
Pyridinium, 1-methyl-3-(2-phenylethenyl)-, sulfate (1:1)
CAS Number:
89354-59-6
Molecular Formula:
C14H15NO4S
Molecular Weight:
293.3382
IUPAC Name:
hydrogen sulfate;1-methyl-3-(2-phenylethenyl)pyridin-1-ium
InChI:
InChI=1S/C14H14N.H2O4S/c1-15-11-5-8-14(12-15)10-9-13-6-3-2-4-7-13;1-5(2,3)4/h2-12H,1H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
LOUXBESOHJXTRP-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.C[n+]1cccc(c1)C=Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.337g/mol
Monoisotopic Mass:
293.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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