Cas no 64107-46-6 (2-Thiophenepropanoic acid, ethyl ester)
64107-46-6 structure
Product Name:2-Thiophenepropanoic acid, ethyl ester
CAS No:64107-46-6
MF:C9H12O2S
MW:184.255381584167
CID:1669394
PubChem ID:10559395
Update Time:2025-04-21
2-Thiophenepropanoic acid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenepropanoic acid, ethyl ester
- 3-(2-thienyl)propanoic acid ethyl ester
- 64107-46-6
- SCHEMBL1504839
- ethyl-2-thiophenepropionate
- ethyl 3-(thiophen-2-yl)propanoate
- ZIGQNBZKDGBLCG-UHFFFAOYSA-N
- AKOS009115075
-
- Inchi： 1S/C9H12O2S/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
- InChI Key： ZIGQNBZKDGBLCG-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CCC(=O)OCC
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 148
- 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: 2.1
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenepropanoic acid, ethyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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