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820208-11-5 | Benzenesulfonic acid, 4-ethenyl-, compd. with 1-ethyl-1H-imidazole(1:1)
CAS No: 820208-11-5 Catalog No: AG0053QW MDL No:
Product Description
Catalog Number:
AG0053QW
Chemical Name:
Benzenesulfonic acid, 4-ethenyl-, compd. with 1-ethyl-1H-imidazole(1:1)
CAS Number:
820208-11-5
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
IUPAC Name:
4-ethenylbenzenesulfonic acid;1-ethylimidazole
InChI:
InChI=1S/C8H8O3S.C5H8N2/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2-7-4-3-6-5-7/h2-6H,1H2,(H,9,10,11);3-5H,2H2,1H3
InChI Key:
IEAXYARQLWUODY-UHFFFAOYSA-N
SMILES:
CCn1ccnc1.C=Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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