Cas no 17487-87-5 (methyl 4-hydroxybenzenesulfonate)
17487-87-5 structure
Product Name:methyl 4-hydroxybenzenesulfonate
CAS No:17487-87-5
MF:C7H8O4S
MW:188.201021194458
CID:1367913
PubChem ID:167660
Update Time:2025-04-20
methyl 4-hydroxybenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-hydroxybenzenesulfonate
- Benzenesulfonic acid, 4-hydroxy-, methyl ester
- DTXSID00169909
- SCHEMBL8203443
- 17487-87-5
-
- Inchi: 1S/C7H8O4S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3
- InChI Key: DSFCOKPGJXVIDN-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)O)(=O)(=O)OC
Computed Properties
- Exact Mass: 188.01434
- Monoisotopic Mass: 188.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 0.9
- Topological Polar Surface Area: 72?2
Experimental Properties
- Density: 1.383
- Boiling Point: 340°C at 760 mmHg
- Flash Point: 159.4°C
- Refractive Index: 1.552
- PSA: 63.6
methyl 4-hydroxybenzenesulfonate Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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