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Basic Information
CAS No.: 26908-82-7
Name: (4-Methylphenyl)sulfonyl acetate
Article Data: 4
Molecular Structure:
Molecular Structure of 26908-82-7 ((4-Methylphenyl)sulfonyl acetate)
Formula: C9H10O4S
Molecular Weight: 214.242
Synonyms: Aceticacid, anhydride with p-toluenesulfonic acid (8CI);Acetic p-toluenesulfonicanhydride;Acetyl p-toluenesulfonate;NSC 158268;Tosyl acetate;
Density: 1.279 g/cm3
Boiling Point: 325.7 °C at 760 mmHg
Flash Point: 150.8 °C
PSA: 68.82000
LogP: 2.32760
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Specification

The (4-Methylphenyl)sulfonyl acetate, with the CAS registry number 26908-82-7, is also known as Acetic p-toluenesulfonicanhydride. This chemical's molecular formula is C9H10O4S and molecular weight is 214.24. What's more, its IUPAC name is (4-Methylphenyl)sulfonyl acetate and systematic name is called p-Tolylsulfonyl acetate.

Physical properties about (4-Methylphenyl)sulfonyl acetate are: (1) ACD/LogP: 1.51; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 68.82 Å2; (7) Index of Refraction: 1.524; (8) Molar Refractivity: 51.3 cm3; (9) Molar Volume: 167.4 cm3; (10) Surface Tension: 42.3 dyne/cm; (11) Density: 1.279 g/cm3; (12) Flash Point: 150.8 °C; (13) Enthalpy of Vaporization: 56.78 kJ/mol; (14) Boiling Point: 325.7 °C at 760 mmHg; (15) Vapour Pressure: 0.000227 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OC(=O)C)c1ccc(cc1)
(2) CInChI: InChI=1/C9H10O4S/c1-7-3-5-9(6-4-7)14(11,12)13-8(2)10/h3-6H,1-2H3
(3) InChIKey: UOAJUPONZOXFNX-UHFFFAOYAD