Cas no 72425-47-9 (Sulfuric acid, ethyl 4-methylphenyl ester)
72425-47-9 structure
Product Name:Sulfuric acid, ethyl 4-methylphenyl ester
CAS No:72425-47-9
MF:C9H12O4S
MW:216.254181861877
CID:543986
PubChem ID:15668767
Update Time:2025-04-19
Sulfuric acid, ethyl 4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Sulfuric acid, ethyl 4-methylphenyl ester
- ethyl (4-methylphenyl) sulfate
- SCHEMBL3895027
- 72425-47-9
- DTXSID60576610
- Ethyl 4-methylphenyl sulfate
-
- Inchi： 1S/C9H12O4S/c1-3-12-14(10,11)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
- InChI Key： QGNSLGKROUXJTH-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(OCC)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 216.04566
- Monoisotopic Mass: 216.04563003g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 247
- 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: 2.2
- Topological Polar Surface Area: 61?2
Experimental Properties
- PSA: 52.6
Sulfuric acid, ethyl 4-methylphenyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
72425-47-9 (Sulfuric acid, ethyl 4-methylphenyl ester) Related Products
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