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82220-44-8 | 1H-Imidazole, monomethanesulfonate
CAS No: 82220-44-8 Catalog No: AG005H63 MDL No:
Product Description
Catalog Number:
AG005H63
Chemical Name:
1H-Imidazole, monomethanesulfonate
CAS Number:
82220-44-8
Molecular Formula:
C4H8N2O3S
Molecular Weight:
164.1829
IUPAC Name:
1H-imidazole;methanesulfonic acid
InChI:
InChI=1S/C3H4N2.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);1H3,(H,2,3,4)
InChI Key:
UHJZDXBXQFVLBM-UHFFFAOYSA-N
SMILES:
c1ncc[nH]1.CS(=O)(=O)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.179g/mol
Monoisotopic Mass:
164.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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