Cas no 917873-53-1 (4-p-Tolyl-thiophene-2-carboxylic acid)
917873-53-1 structure
Product Name:4-p-Tolyl-thiophene-2-carboxylic acid
CAS No:917873-53-1
MF:C12H10O2S
MW:218.271602153778
CID:2144200
Update Time:2023-08-03
4-p-Tolyl-thiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-p-tolyl-thiophene-2-carboxylic acid
- 4-p-Tolylthiophene-2-carboxylic acid
- WDEDCCFNMBYCNF-UHFFFAOYSA-N
- 4-p-Tolyl-thiophene-2-carboxylic acid
-
- Inchi： 1S/C12H10O2S/c1-8-2-4-9(5-3-8)10-6-11(12(13)14)15-7-10/h2-7H,1H3,(H,13,14)
- InChI Key： WDEDCCFNMBYCNF-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 218.04
- Monoisotopic Mass: 218.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 234
- 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
- Topological Polar Surface Area: 65.5
4-p-Tolyl-thiophene-2-carboxylic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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