Cas no 106842-97-1 (Pentanedioic acid, 3-phenyl-, monoethyl ester)
106842-97-1 structure
Product Name:Pentanedioic acid, 3-phenyl-, monoethyl ester
CAS No:106842-97-1
MF:C13H16O4
MW:236.263744354248
CID:1181824
Update Time:2024-08-02
Pentanedioic acid, 3-phenyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
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- Pentanedioic acid, 3-phenyl-, monoethyl ester
- 3-phenylpentanedioic acid monoethyl ester
- .3-phenyl-glutaric acid monoethyl ester
- .3-phenyl-glutaric acid mono-ethyl ester
- .3-Phenyl-glutarsaeure-monoaethylester
- 3-phenylglutaric acid monoethyl ester
- Pentanedioic acid, 3-phenyl-, 1-ethyl ester
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- Inchi： 1S/C13H16O4/c1-2-17-13(16)9-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)
- InChI Key： YRTMKJSCLUJGPA-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CC(C1=CC=CC=C1)CC(O)=O
Computed Properties
- Exact Mass: 236.10500
Experimental Properties
- Density: 1.160±0.06 g/cm3(Predicted)
- Melting Point: 59-60 °C(Solv: ligroine (8032-32-4))
- Boiling Point: 174-175 °C(Press: 9 Torr)
- PSA: 63.60000
- LogP: 2.19810
- pka: 4.46±0.10(Predicted)
Pentanedioic acid, 3-phenyl-, monoethyl ester Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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