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189696-57-9 | 2,4,3-Benzodioxathiepin, 1,5-dihydro-1,5-dimethyl-, 3,3-dioxide
CAS No: 189696-57-9 Catalog No: AG002DW6 MDL No:
Product Description
Catalog Number:
AG002DW6
Chemical Name:
2,4,3-Benzodioxathiepin, 1,5-dihydro-1,5-dimethyl-, 3,3-dioxide
CAS Number:
189696-57-9
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
IUPAC Name:
1,5-dimethyl-1,5-dihydro-2,4,3λ6-benzodioxathiepine 3,3-dioxide
InChI:
InChI=1S/C10H12O4S/c1-7-9-5-3-4-6-10(9)8(2)14-15(11,12)13-7/h3-8H,1-2H3
InChI Key:
HHULLSYVAAUQMM-UHFFFAOYSA-N
SMILES:
CC1OS(=O)(=O)OC(c2c1cccc2)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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