Cas no 88798-30-5 (Propanedioic acid, ethyl-2-thienyl-, diethyl ester)
88798-30-5 structure
Product Name:Propanedioic acid, ethyl-2-thienyl-, diethyl ester
CAS No:88798-30-5
MF:C13H18O4S
MW:270.344623088837
CID:1931054
PubChem ID:15591546
Update Time:2025-04-21
Propanedioic acid, ethyl-2-thienyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, ethyl-2-thienyl-, diethyl ester
- diethyl 2-ethyl-2-thiophen-2-ylpropanedioate
- 88798-30-5
- Diethyl ethyl(thiophen-2-yl)propanedioate
- DTXSID90575318
-
- Inchi： 1S/C13H18O4S/c1-4-13(11(14)16-5-2,12(15)17-6-3)10-8-7-9-18-10/h7-9H,4-6H2,1-3H3
- InChI Key： JIAAOLSVHZOBLU-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(=O)OCC)(C(=O)OCC)CC
Computed Properties
- Exact Mass: 270.09258022Da
- Monoisotopic Mass: 270.09258022Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 285
- 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
- Topological Polar Surface Area: 80.8?2
Propanedioic acid, ethyl-2-thienyl-, diethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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