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881880-92-8 | Benzo[c]thiophene, 5-ethenyl-1,3-dihydro-, 2,2-dioxide
CAS No: 881880-92-8 Catalog No: AG004CCY MDL No:
Product Description
Catalog Number:
AG004CCY
Chemical Name:
Benzo[c]thiophene, 5-ethenyl-1,3-dihydro-, 2,2-dioxide
CAS Number:
881880-92-8
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
5-ethenyl-1,3-dihydro-2-benzothiophene 2,2-dioxide
InChI:
InChI=1S/C10H10O2S/c1-2-8-3-4-9-6-13(11,12)7-10(9)5-8/h2-5H,1,6-7H2
InChI Key:
KHWQITFBSAZENY-UHFFFAOYSA-N
SMILES:
C=Cc1ccc2c(c1)CS(=O)(=O)C2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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