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68867-59-4 | 3-(butoxycarbonyl)-1-methylpyridinium methyl sulphate
CAS No: 68867-59-4 Catalog No: AG00FMZA MDL No:
Product Description
Catalog Number:
AG00FMZA
Chemical Name:
3-(butoxycarbonyl)-1-methylpyridinium methyl sulphate
CAS Number:
68867-59-4
IUPAC Name:
butyl 1-methylpyridin-1-ium-3-carboxylate;methyl sulfate
InChI:
InChI=1S/C11H16NO2.CH4O4S/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10;1-5-6(2,3)4/h5-7,9H,3-4,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
PQXZEJDABLZLMP-UHFFFAOYSA-M
EC Number:
272-520-8
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.345g/mol
Monoisotopic Mass:
305.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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