Cas no 128612-65-7 (Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy-)
128612-65-7 structure
Product Name:Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy-
CAS No:128612-65-7
MF:C8H10O6S
MW:234.226401805878
CID:1223441
PubChem ID:14530870
Update Time:2025-04-20
Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy-
- 2-hydroxy-4,6-dimethoxybenzenesulfonic acid
- 128612-65-7
- DTXSID30561316
- 2-Hydroxy-4,6-dimethoxybenzene-1-sulfonic acid
-
- Inchi： 1S/C8H10O6S/c1-13-5-3-6(9)8(15(10,11)12)7(4-5)14-2/h3-4,9H,1-2H3,(H,10,11,12)
- InChI Key： USDXBBBTXARJMU-UHFFFAOYSA-N
- SMILES： S(C1C(=CC(=CC=1OC)OC)O)(=O)(=O)O
Computed Properties
- Exact Mass: 234.0198
- Monoisotopic Mass: 234.01980921g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 0.8
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 93.06
Benzenesulfonic acid, 2-hydroxy-4,6-dimethoxy- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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