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26590-31-8 | Benzenesulfonic acid, hydroxymethyl-
CAS No: 26590-31-8 Catalog No: AG002TS6 MDL No:
Product Description
Catalog Number:
AG002TS6
Chemical Name:
Benzenesulfonic acid, hydroxymethyl-
CAS Number:
26590-31-8
Molecular Formula:
C7H8O4S
Molecular Weight:
188.2010
IUPAC Name:
(2-methylphenyl) hydrogen sulfate
InChI:
InChI=1S/C7H8O4S/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key:
CYGSXDXRHXMAOV-UHFFFAOYSA-N
SMILES:
OCc1ccccc1S(=O)(=O)O
EC Number:
247-831-7
UNII:
3X87HHK9AG
Properties
Complexity:
228
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.197g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| [170 years of using the sulfosalicylyl method (literature review)]. | Klinicheskaia laboratornaia diagnostika 20040801 |
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