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18023-22-8 | Benzenesulfonic acid, 3,5-dimethyl-
CAS No: 18023-22-8 Catalog No: AG0021TK MDL No:
Product Description
Catalog Number:
AG0021TK
Chemical Name:
Benzenesulfonic acid, 3,5-dimethyl-
CAS Number:
18023-22-8
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
IUPAC Name:
3,5-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10O3S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChI Key:
QFVYAQIVJUCNSJ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C)S(=O)(=O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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