Cas no 99578-57-1 (3-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester)
99578-57-1 structure
Product Name:3-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester
CAS No:99578-57-1
MF:C13H12O2S
MW:232.298182487488
CID:750169
PubChem ID:58110324
Update Time:2025-04-19
3-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester
- ethyl 5-phenylthiophene-3-carboxylate
- DTXSID50728823
- Ethyl-2-phenylthiophen-4-carboxylate
- DZYFJAWFZAMCEM-UHFFFAOYSA-N
- 99578-57-1
- 5-Phenyl-thiophene-3-carboxylic acid ethyl ester
- SCHEMBL938199
-
- Inchi： 1S/C13H12O2S/c1-2-15-13(14)11-8-12(16-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
- InChI Key： DZYFJAWFZAMCEM-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)OCC)C=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 232.05580079g/mol
- Monoisotopic Mass: 232.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 236
- 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: 3.5
- Topological Polar Surface Area: 54.5?2
3-Thiophenecarboxylic acid, 5-phenyl-, ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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