Cas no 61206-96-0 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester)
61206-96-0 structure
Product Name:2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester
CAS No:61206-96-0
MF:C15H14O4S
MW:290.334263324738
CID:488452
PubChem ID:71398261
Update Time:2025-04-19
2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester
- 3-O-ethyl 2-O-methyl 4-phenylthiophene-2,3-dicarboxylate
- DTXSID10819706
- 61206-96-0
- 3-Ethyl 2-methyl 4-phenylthiophene-2,3-dicarboxylate
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- Inchi： 1S/C15H14O4S/c1-3-19-14(16)12-11(10-7-5-4-6-8-10)9-20-13(12)15(17)18-2/h4-9H,3H2,1-2H3
- InChI Key： TXNBHNZUIRNPLV-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=CC=2)C(C(=O)OCC)=C1C(=O)OC
Computed Properties
- Exact Mass: 290.06132
- Monoisotopic Mass: 290.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 352
- 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: 3.6
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 52.6
2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
61206-96-0 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, 3-ethyl 2-methyl ester) Related Products
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