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Acetic acid,2-[(4-methoxyphenyl)sulfonyl]-, ethyl ester (2850-21-7)

Identification
Name:Acetic acid,2-[(4-methoxyphenyl)sulfonyl]-, ethyl ester
Synonyms:Aceticacid, [(4-methoxyphenyl)sulfonyl]-, ethyl ester (9CI); Acetic acid,[(p-methoxyphenyl)sulfonyl]-, ethyl ester (7CI,8CI);(4-Methoxyphenylsulfonyl)acetic acid ethyl ester; Ethyl[(4-methoxyphenyl)sulfonyl]acetate
CAS:2850-21-7
Molecular Formula: C11H14 O5 S
Molecular Weight: 258.29
Molecular Structure: (C11H14O5S) Aceticacid, [(4-methoxyphenyl)sulfonyl]-, ethyl ester (9CI); Acetic acid,[(p-methoxyphenyl)sulfonyl]...
Properties
Density:1.240
Specification:

The 2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester with cas registry number of 2850-21-7, has the systematic name of ethyl [(4-methoxyphenyl)sulfonyl]acetate. And it is also named ethyl 2-[(4-methoxyphenyl)sulfonyl]acetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.88; (6)ACD/BCF (pH 7.4): 11.88; (7)ACD/KOC (pH 5.5): 204.64; (8)ACD/KOC (pH 7.4): 204.64; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.05 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 62.31 cm3; (15)Molar Volume: 208.2 cm3; (16)Polarizability: 24.7×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Enthalpy of Vaporization: 67.22 kJ/mol; (19)Vapour Pressure: 3.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)CS(=O)(=O)c1ccc(OC)cc1;
(2)InChI: InChI=1/C11H14O5S/c1-3-16-11(12)8-17(13,14)10-6-4-9(15-2)5-7-10/h4-7H,3,8H2,1-2H3;
(3)InChIKey: HJUXYQLTIVYHIN-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C11H14O5S/c1-3-16-11(12)8-17(13,14)10-6-4-9(15-2)5-7-10/h4-7H,3,8H2,1-2H3;
(5)Std. InChIKey: HJUXYQLTIVYHIN-UHFFFAOYSA-N

Safety Data
 

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