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7566-33-8 | 1,3-Benzenedisulfonic acid, 4,6-dimethyl-
CAS No: 7566-33-8 Catalog No: AG005IY3 MDL No:
Product Description
Catalog Number:
AG005IY3
Chemical Name:
1,3-Benzenedisulfonic acid, 4,6-dimethyl-
CAS Number:
7566-33-8
Molecular Formula:
C8H10O6S2
Molecular Weight:
266.2914
IUPAC Name:
4,6-dimethylbenzene-1,3-disulfonic acid
InChI:
InChI=1S/C8H10O6S2/c1-5-3-6(2)8(16(12,13)14)4-7(5)15(9,10)11/h3-4H,1-2H3,(H,9,10,11)(H,12,13,14)
InChI Key:
LZKSWEMNHCYYFD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.282g/mol
Monoisotopic Mass:
265.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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