Cas no 500301-70-2 (Benzeneethanol, 2-(sulfooxy)-)
Benzeneethanol, 2-(sulfooxy)- structure
Product Name:Benzeneethanol, 2-(sulfooxy)-
CAS No:500301-70-2
MF:C8H10O5S
MW:218.227001667023
CID:1549428
PubChem ID:71366878
Update Time:2025-04-21
Benzeneethanol, 2-(sulfooxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, 2-(sulfooxy)-
- [2-(2-hydroxyethyl)phenyl] hydrogen sulfate
- 2-(2-hydroxyethyl)phenyl hydrogen sulfate
- 500301-70-2
- DTXSID90790226
-
- Inchi： 1S/C8H10O5S/c9-6-5-7-3-1-2-4-8(7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)
- InChI Key： YSUPYJPCFRZHTJ-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)OC1C=CC=CC=1CCO
Computed Properties
- Exact Mass: 218.0249
- Monoisotopic Mass: 218.02489459g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 255
- 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: 0.5
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- PSA: 83.83
Benzeneethanol, 2-(sulfooxy)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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