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Home > Imidazoles > 148019-49-2
148019-49-2 | 1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium
CAS No: 148019-49-2 Catalog No: AG01C0DG MDL No:MFCD30497948
Product Description
Catalog Number:
AG01C0DG
Chemical Name:
1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium
CAS Number:
148019-49-2
Molecular Formula:
C7H12N2O3S
Molecular Weight:
204.2468
MDL Number:
MFCD30497948
IUPAC Name:
3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C7H12N2O3S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12/h4-5,7H,2-3,6H2,1H3
InChI Key:
NATMUPYZFJLLJZ-UHFFFAOYSA-N
SMILES:
Cn1cc[n+](c1)CCCS(=O)(=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.244g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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