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Home > Imidazoles > 97345-88-5
97345-88-5 | 1H-Imidazolium, 1,3-dimethyl-, sulfate (1:1)
CAS No: 97345-88-5 Catalog No: AG006CHR MDL No:
Product Description
Catalog Number:
AG006CHR
Chemical Name:
1H-Imidazolium, 1,3-dimethyl-, sulfate (1:1)
CAS Number:
97345-88-5
Molecular Formula:
C5H12N2O4S
Molecular Weight:
196.2248
IUPAC Name:
1,3-dimethyl-1,2-dihydroimidazol-1-ium;hydrogen sulfate
InChI:
InChI=1S/C5H10N2.H2O4S/c1-6-3-4-7(2)5-6;1-5(2,3)4/h3-4H,5H2,1-2H3;(H2,1,2,3,4)
InChI Key:
VNEAMDQMRRQFMU-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.CN1C=C[NH+](C1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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