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93840-67-6 | 2-Methyl-1H-imidazole sulphate
CAS No: 93840-67-6 Catalog No: AG006CU8 MDL No:
Product Description
Catalog Number:
AG006CU8
Chemical Name:
2-Methyl-1H-imidazole sulphate
CAS Number:
93840-67-6
Molecular Formula:
C4H8N2O4S
Molecular Weight:
180.1823
IUPAC Name:
2-methyl-1H-imidazole;sulfuric acid
InChI:
InChI=1S/C4H6N2.H2O4S/c1-4-5-2-3-6-4;1-5(2,3)4/h2-3H,1H3,(H,5,6);(H2,1,2,3,4)
InChI Key:
LQJVFZGMRYJPNB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Cc1ncc[nH]1
EC Number:
298-932-8
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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