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872672-50-9 | 1-Ethyl-3-methylpyridinium Ethyl Sulfate
CAS No: 872672-50-9 Catalog No: AG0032R8 MDL No:
Product Description
Catalog Number:
AG0032R8
Chemical Name:
1-Ethyl-3-methylpyridinium Ethyl Sulfate
CAS Number:
872672-50-9
Molecular Formula:
C10H17NO4S
Molecular Weight:
247.3113
IUPAC Name:
1-ethyl-3-methylpyridin-1-ium;ethyl sulfate
InChI:
InChI=1S/C8H12N.C2H6O4S/c1-3-9-6-4-5-8(2)7-9;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
ZTLWMUBOQHZKNS-UHFFFAOYSA-M
SMILES:
CC[n+]1cccc(c1)C.CCOS(=O)(=O)[O-]
Properties
Complexity:
184
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:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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