Cas no 63409-57-4 (Acetic acid, sulfo-, 1-methyl ester)
63409-57-4 structure
Product Name:Acetic acid, sulfo-, 1-methyl ester
CAS No:63409-57-4
MF:C3H6O5S
MW:154.141740322113
CID:2790659
PubChem ID:12216621
Update Time:2025-04-21
Acetic acid, sulfo-, 1-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methyl2-sulfoacetate
- C3H6O5S
- RBA50591
- SCHEMBL1123070
- Acetic acid, sulfo-, 1-methyl ester
- 2-METHOXY-2-OXOETHANESULFONIC ACID
- DTXSID80480907
- 63409-57-4
-
- Inchi： 1S/C3H6O5S/c1-8-3(4)2-9(5,6)7/h2H2,1H3,(H,5,6,7)
- InChI Key： GLIZCTQNRHOAEH-UHFFFAOYSA-N
- SMILES： S(CC(=O)OC)(=O)(=O)O
Computed Properties
- Exact Mass: 153.99359446Da
- Monoisotopic Mass: 153.99359446Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 185
- 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
- Topological Polar Surface Area: 89.1?2
Acetic acid, sulfo-, 1-methyl ester Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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