Cas no 28519-04-2 (p-Cresolsulphonic acid)
p-Cresolsulphonic acid structure
Product Name:p-Cresolsulphonic acid
p-Cresolsulphonic acid Chemical and Physical Properties
Names and Identifiers
-
- p-Cresolsulphonic acid
- 2-hydroxy-5-methylbenzenesulfonic acid
- UNII-NXK474P32D
- p-Kresol-o-sulfosaure
- 28519-04-2
- NS00048475
- 2-hydroxy-5-methylbenzene-1-sulfonicacid
- DTXSID60951206
- NXK474P32D
- EINECS 249-064-3
- 7134-06-7
- SCHEMBL1270768
- Z1513803805
- m-Toluenesulfonic acid, 6-hydroxy-
- Benzenesulfonic acid, 2-hydroxy-5-methyl-
- AKOS033816307
- 2-hydroxy-5-methylbenzene-1-sulfonic acid
- Q27285095
- p-Cresol-2-sulfonic acid
- EN300-118732
-
- Inchi: 1S/C7H8O4S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
- InChI Key: AXZKCQSGDARVRL-UHFFFAOYSA-N
- SMILES: S(C1C(=CC=C(C)C=1)O)(=O)(=O)O
Computed Properties
- Exact Mass: 188.01400
- Monoisotopic Mass: 188.01432991g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 83?2
Experimental Properties
- PSA: 82.98000
- LogP: 2.02810
p-Cresolsulphonic acid Related Literature
-
1. 153. Interaction of p-cresol and other phenols with chloral and its hydrateMichael P. Balfe,William C. Webber J. Chem. Soc. 1942 718
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