Cas no 61206-94-8 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester)
61206-94-8 structure
Product Name:2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester
CAS No:61206-94-8
MF:C14H12O4S
MW:276.307682991028
CID:488454
PubChem ID:12286784
Update Time:2025-04-19
2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester
- dimethyl 4-phenylthiophene-2,3-dicarboxylate
- 61206-94-8
- DTXSID10484519
-
- Inchi： 1S/C14H12O4S/c1-17-13(15)11-10(9-6-4-3-5-7-9)8-19-12(11)14(16)18-2/h3-8H,1-2H3
- InChI Key： IHOCKYNEQLNHKL-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=CC=2)C(C(=O)OC)=C1C(=O)OC
Computed Properties
- Exact Mass: 276.04566
- Monoisotopic Mass: 276.04563003g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 338
- 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: 3.3
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 52.6
2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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5. Agricultural
61206-94-8 (2,3-Thiophenedicarboxylic acid, 4-phenyl-, dimethyl ester) Related Products
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