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Home > Imidazoles > 827320-59-2
827320-59-2 | 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate
CAS No: 827320-59-2 Catalog No: AG004ZWE MDL No:MFCD12761445
Product Description
Catalog Number:
AG004ZWE
Chemical Name:
3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate
CAS Number:
827320-59-2
Molecular Formula:
C8H16N2O7S2
Molecular Weight:
316.3518
MDL Number:
MFCD12761445
IUPAC Name:
hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
InChI:
InChI=1S/C8H14N2O3S.H2O4S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)
InChI Key:
IEKJIBPFXKAASL-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.C[n+]1ccn(c1)CCCCS(=O)(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.343g/mol
Monoisotopic Mass:
316.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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