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137910-24-8 | 1,3-Benzenedisulfonic acid, 1,3-bis(3,5-dimethylphenyl) ester
CAS No: 137910-24-8 Catalog No: AG001434 MDL No:
Product Description
Catalog Number:
AG001434
Chemical Name:
1,3-Benzenedisulfonic acid, 1,3-bis(3,5-dimethylphenyl) ester
CAS Number:
137910-24-8
Molecular Formula:
C22H22O6S2
Molecular Weight:
446.5365
IUPAC Name:
bis(3,5-dimethylphenyl) benzene-1,3-disulfonate
InChI:
InChI=1S/C22H22O6S2/c1-15-8-16(2)11-19(10-15)27-29(23,24)21-6-5-7-22(14-21)30(25,26)28-20-12-17(3)9-18(4)13-20/h5-14H,1-4H3
InChI Key:
MHGJGVYADQOELV-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C)OS(=O)(=O)c1cccc(c1)S(=O)(=O)Oc1cc(C)cc(c1)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.086g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.532g/mol
Monoisotopic Mass:
446.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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