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820208-10-4 | Ethenesulfonic acid, compd. with 1-ethyl-1H-imidazole (1:1)
CAS No: 820208-10-4 Catalog No: AG005E5I MDL No:
Product Description
Catalog Number:
AG005E5I
Chemical Name:
Ethenesulfonic acid, compd. with 1-ethyl-1H-imidazole (1:1)
CAS Number:
820208-10-4
Molecular Formula:
C7H12N2O3S
Molecular Weight:
204.2468
IUPAC Name:
ethenesulfonic acid;1-ethylimidazole
InChI:
InChI=1S/C5H8N2.C2H4O3S/c1-2-7-4-3-6-5-7;1-2-6(3,4)5/h3-5H,2H2,1H3;2H,1H2,(H,3,4,5)
InChI Key:
FRTNYJCKNKVBBV-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)O.CCn1cncc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.244g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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