Cas no 53064-72-5 (Propanedioic acid, 2-thienyl-, monoethyl ester)
53064-72-5 structure
Product Name:Propanedioic acid, 2-thienyl-, monoethyl ester
CAS No:53064-72-5
MF:C9H9O4S
MW:213.230361700058
CID:358128
PubChem ID:71365383
Update Time:2025-04-19
Propanedioic acid, 2-thienyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 2-thienyl-, monoethyl ester
- 3-ethoxy-3-oxo-2-thiophen-2-ylpropanoate
- 3-Ethoxy-3-oxo-2-(thiophen-2-yl)propanoate
- 53064-72-5
- DTXSID10788802
-
- Inchi： 1S/C9H10O4S/c1-2-13-9(12)7(8(10)11)6-4-3-5-14-6/h3-5,7H,2H2,1H3,(H,10,11)/p-1
- InChI Key： SIJUFSMIUVCHDT-UHFFFAOYSA-M
- SMILES： S1C=CC=C1C(C(=O)[O-])C(=O)OCC
Computed Properties
- Exact Mass: 213.02217
- Monoisotopic Mass: 213.02215494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 94.7?2
Experimental Properties
- PSA: 66.43
Propanedioic acid, 2-thienyl-, monoethyl ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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