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128612-65-7 | Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy-
CAS No: 128612-65-7 Catalog No: AG000Y87 MDL No:
Product Description
Catalog Number:
AG000Y87
Chemical Name:
Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy-
CAS Number:
128612-65-7
Molecular Formula:
C8H10O6S
Molecular Weight:
234.2264
IUPAC Name:
2-hydroxy-4,6-dimethoxybenzenesulfonic acid
InChI:
InChI=1S/C8H10O6S/c1-13-5-3-6(9)8(15(10,11)12)7(4-5)14-2/h3-4,9H,1-2H3,(H,10,11,12)
InChI Key:
USDXBBBTXARJMU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1S(=O)(=O)O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.222g/mol
Monoisotopic Mass:
234.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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