Cas no 100701-53-9 (Propanedioic acid, ethylfluoro-, monoethyl ester)
100701-53-9 structure
Product Name:Propanedioic acid, ethylfluoro-, monoethyl ester
CAS No:100701-53-9
MF:C7H11FO4
MW:178.158246278763
CID:1126180
Update Time:2024-07-27
Propanedioic acid, ethylfluoro-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, ethylfluoro-, monoethyl ester
- Propanedioic acid, 2-ethyl-2-fluoro-, 1-ethyl ester
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- Inchi： 1S/C7H11FO4/c1-3-7(8,5(9)10)6(11)12-4-2/h3-4H2,1-2H3,(H,9,10)
- InChI Key： LDVHGNXHOFEWBW-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C(CC)(F)C(O)=O
Computed Properties
- Exact Mass: 177.0563
Experimental Properties
- Density: 1.206±0.06 g/cm3(Predicted)
- Boiling Point: 266.8±25.0 °C(Predicted)
- PSA: 66.43
- pka: 0.78±0.36(Predicted)
Propanedioic acid, ethylfluoro-, monoethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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