Cas no 6343-63-1 (phenyl(thiophen-2-yl)acetic acid)
6343-63-1 structure
Product Name:phenyl(thiophen-2-yl)acetic acid
CAS No:6343-63-1
MF:C12H10O2S
MW:218.271602153778
CID:960182
PubChem ID:226129
Update Time:2025-04-19
phenyl(thiophen-2-yl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- phenyl(thiophen-2-yl)acetic acid
- 2-phenyl-2-thiophen-2-ylacetic acid
- DTXSID90280293
- 6343-63-1
- NSC16271
- Phenyl(2-thienyl)acetic acid
- QIMHOHNDXHYFIP-UHFFFAOYSA-N
- NSC-16271
- a-phenyl-a-(2-thienyl)-acetic acid
- SCHEMBL4619853
-
- Inchi： 1S/C12H10O2S/c13-12(14)11(10-7-4-8-15-10)9-5-2-1-3-6-9/h1-8,11H,(H,13,14)
- InChI Key： QIMHOHNDXHYFIP-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(=O)O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 218.0402
- Monoisotopic Mass: 218.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 224
- 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: 2.8
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
phenyl(thiophen-2-yl)acetic acid Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
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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