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17342-21-1 | Pyridinium, 1-dodecyl-, sulfate (1:1)
CAS No: 17342-21-1 Catalog No: AG001YWB MDL No:
Product Description
Catalog Number:
AG001YWB
Chemical Name:
Pyridinium, 1-dodecyl-, sulfate (1:1)
CAS Number:
17342-21-1
Molecular Formula:
C17H31NO4S
Molecular Weight:
345.4973
IUPAC Name:
1-dodecylpyridin-1-ium;hydrogen sulfate
InChI:
InChI=1S/C17H30N.H2O4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-5(2,3)4/h11,13-14,16-17H,2-10,12,15H2,1H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
IQDVXXOBJULTFE-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCCCCCCCCCCC[n+]1ccccc1
EC Number:
241-364-2
UNII:
3TP4349H3P
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.197g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.498g/mol
Monoisotopic Mass:
345.197g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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