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189060-90-0 | 1H-Imidazole-1-methanesulfonic acid, 4,5-dimethyl-
CAS No: 189060-90-0 Catalog No: AG002HSN MDL No:
Product Description
Catalog Number:
AG002HSN
Chemical Name:
1H-Imidazole-1-methanesulfonic acid, 4,5-dimethyl-
CAS Number:
189060-90-0
Molecular Formula:
C6H10N2O3S
Molecular Weight:
190.2202
IUPAC Name:
(4,5-dimethylimidazol-1-yl)methanesulfonic acid
InChI:
InChI=1S/C6H10N2O3S/c1-5-6(2)8(3-7-5)4-12(9,10)11/h3H,4H2,1-2H3,(H,9,10,11)
InChI Key:
LPSGUWODPXGGCU-UHFFFAOYSA-N
SMILES:
Cc1n(cnc1C)CS(=O)(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.217g/mol
Monoisotopic Mass:
190.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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