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652129-52-7 | Benzenesulfonic acid, ethenyl-, compd. with 1H-imidazole (1:1)
CAS No: 652129-52-7 Catalog No: AG00H708 MDL No:
Product Description
Catalog Number:
AG00H708
Chemical Name:
Benzenesulfonic acid, ethenyl-, compd. with 1H-imidazole (1:1)
CAS Number:
652129-52-7
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
IUPAC Name:
2-ethenylbenzenesulfonic acid;1H-imidazole
InChI:
InChI=1S/C8H8O3S.C3H4N2/c1-2-7-5-3-4-6-8(7)12(9,10)11;1-2-5-3-4-1/h2-6H,1H2,(H,9,10,11);1-3H,(H,4,5)
InChI Key:
DZTGVLVYQADROR-UHFFFAOYSA-N
SMILES:
c1ncc[nH]1.C=Cc1ccccc1S(=O)(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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