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102014-39-1 | Benzenesulfonic acid, 5-hydroxy-2-methyl-
CAS No: 102014-39-1 Catalog No: AG0006CB MDL No:
Product Description
Catalog Number:
AG0006CB
Chemical Name:
Benzenesulfonic acid, 5-hydroxy-2-methyl-
CAS Number:
102014-39-1
Molecular Formula:
C7H8O4S
Molecular Weight:
188.2010
IUPAC Name:
5-hydroxy-2-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O4S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChI Key:
YWHXPJLWNXLVHP-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)S(=O)(=O)O)C
UNII:
8DY26DR678
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.197g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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