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64794-59-8 | 1-(benzyl)-2-(2-sulphonatoethyl)pyridinium
CAS No: 64794-59-8 Catalog No: AG00EH9Q MDL No:
Product Description
Catalog Number:
AG00EH9Q
Chemical Name:
1-(benzyl)-2-(2-sulphonatoethyl)pyridinium
CAS Number:
64794-59-8
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
2-(1-benzylpyridin-1-ium-2-yl)ethanesulfonate
InChI:
InChI=1S/C14H15NO3S/c16-19(17,18)11-9-14-8-4-5-10-15(14)12-13-6-2-1-3-7-13/h1-8,10H,9,11-12H2
InChI Key:
LJVDBAUGXHRHIS-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)CCc1cccc[n+]1Cc1ccccc1
EC Number:
265-238-1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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