Cas no 88048-65-1 (Propanedioic acid, ethyl(3-iodophenyl)-, diethyl ester)
88048-65-1 structure
Product Name:Propanedioic acid, ethyl(3-iodophenyl)-, diethyl ester
CAS No:88048-65-1
MF:C15H19IO4
MW:390.213437318802
CID:647268
PubChem ID:13147471
Update Time:2025-04-19
Propanedioic acid, ethyl(3-iodophenyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, ethyl(3-iodophenyl)-, diethyl ester
- diethyl 2-ethyl-2-(3-iodophenyl)propanedioate
- DTXSID60521968
- Diethyl ethyl(3-iodophenyl)propanedioate
- 88048-65-1
-
- Inchi： 1S/C15H19IO4/c1-4-15(13(17)19-5-2,14(18)20-6-3)11-8-7-9-12(16)10-11/h7-10H,4-6H2,1-3H3
- InChI Key： NVQQQHQHEXRAQM-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)C(C(=O)OCC)(C(=O)OCC)CC
Computed Properties
- Exact Mass: 390.03281g/mol
- Monoisotopic Mass: 390.03281g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 52.6?2
Propanedioic acid, ethyl(3-iodophenyl)-, diethyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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