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68299-25-2 | 1-ethylmethylpyridinium ethyl sulphate
CAS No: 68299-25-2 Catalog No: AG00FOX6 MDL No:
Product Description
Catalog Number:
AG00FOX6
Chemical Name:
1-ethylmethylpyridinium ethyl sulphate
CAS Number:
68299-25-2
IUPAC Name:
ethyl sulfate;1-propylpyridin-1-ium
InChI:
InChI=1S/C8H12N.C2H6O4S/c1-2-6-9-7-4-3-5-8-9;1-2-6-7(3,4)5/h3-5,7-8H,2,6H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
XQXVYZBUCWELOV-UHFFFAOYSA-M
EC Number:
269-606-2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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