Cas no 34124-56-6 (2-(4-Mercaptophenyl)propionic acid)
34124-56-6 structure
Product Name:2-(4-Mercaptophenyl)propionic acid
CAS No:34124-56-6
MF:C9H10O2S
MW:182.239501476288
CID:2944424
Update Time:2023-08-10
2-(4-Mercaptophenyl)propionic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(4-mercaptophenyl)propionic acid
- 4-Mercaptophenylpropanoic acid
- 2-(4-Mercaptophenyl)propionic acid
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- Inchi: 1S/C9H10O2S/c1-6(9(10)11)7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,10,11)
- InChI Key: HLWUKJUOPQJDOL-UHFFFAOYSA-N
- SMILES: SC1C=CC(=CC=1)C(C(=O)O)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- XLogP3: 2.1
- Topological Polar Surface Area: 38.3
2-(4-Mercaptophenyl)propionic acid Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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