Cas no 62287-53-0 (Benzenesulfonic acid, 4-hydroxy-, phenyl ester)
62287-53-0 structure
Product Name:Benzenesulfonic acid, 4-hydroxy-, phenyl ester
CAS No:62287-53-0
MF:C12H10O4S
MW:250.270402431488
CID:450720
PubChem ID:593816
Update Time:2025-04-19
Benzenesulfonic acid, 4-hydroxy-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 4-hydroxy-, phenyl ester
- phenyl 4-hydroxybenzenesulfonate
- 4-phenoxysulfonylphenol
- 62287-53-0
- DTXSID70344004
- HTFDCEANYPZOAJ-UHFFFAOYSA-N
- SCHEMBL4393906
-
- Inchi： 1S/C12H10O4S/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9,13H
- InChI Key： HTFDCEANYPZOAJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)O)(=O)(=O)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 250.03
- Monoisotopic Mass: 250.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 319
- 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: 2.7
- Topological Polar Surface Area: 72?2
Experimental Properties
- PSA: 63.6
Benzenesulfonic acid, 4-hydroxy-, phenyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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