Cas no 91902-78-2 (2-Thiopheneacetic acid,a-(phenylmethyl)-)
91902-78-2 structure
Product Name:2-Thiopheneacetic acid,a-(phenylmethyl)-
CAS No:91902-78-2
MF:C13H12O2S
MW:232.298182487488
CID:813500
PubChem ID:236381
Update Time:2025-04-19
2-Thiopheneacetic acid,a-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid,a-(phenylmethyl)-
- 3-phenyl-2-thiophen-2-ylpropanoic acid
- 91902-78-2
- NSC38815
- DTXSID70284759
- NSC-38815
-
- Inchi： 1S/C13H12O2S/c14-13(15)11(12-7-4-8-16-12)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)
- InChI Key： DDSSZBSJRNFOJW-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(=O)O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 232.05580079g/mol
- Monoisotopic Mass: 232.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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 : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 65.5?2
2-Thiopheneacetic acid,a-(phenylmethyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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