Cas no 77821-50-2 (Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester)
![Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester structure](https://ossimg.kuujia.com/scimg/78000/77821-50-2x500.png)
77821-50-2 structure
Product Name:Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester
CAS No:77821-50-2
MF:C16H16O4S
MW:304.360843658447
CID:1789132
Update Time:2024-11-19
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester
-
- Inchi： 1S/C16H16O4S/c1-13-7-9-15(10-8-13)21(18,19)12-11-16(17)20-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
- InChI Key： XKHIVTKISCGJNX-UHFFFAOYSA-N
- SMILES： C(OC1=CC=CC=C1)(=O)CCS(C1=CC=C(C)C=C1)(=O)=O
Computed Properties
- Exact Mass: 304.07698
Experimental Properties
- Density: 1.237±0.06 g/cm3(Predicted)
- Boiling Point: 496.8±45.0 °C(Predicted)
- PSA: 60.44
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, phenyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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