Cas no 16199-74-9 (2-cyclohexyl-2-thiophen-3-yl-acetic acid)
16199-74-9 structure
Product Name:2-cyclohexyl-2-thiophen-3-yl-acetic acid
CAS No:16199-74-9
MF:C12H16O2S
MW:224.319242477417
CID:165923
PubChem ID:85972
Update Time:2025-04-19
2-cyclohexyl-2-thiophen-3-yl-acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-cyclohexyl-2-thiophen-3-yl-acetic acid
- 2-cyclohexyl-2-thiophen-3-ylacetic acid
- alpha-cyclohexylthiophen-3-acetic acid
- cyclohexyl(thiophen-3-yl)acetic acid
- alpha-cyclohexyl-3-thienylacetic acid
- 16199-74-9
- DTXSID30936621
- NS00053907
- SCHEMBL11147057
- EINECS 240-328-3
-
- Inchi： 1S/C12H16O2S/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,13,14)
- InChI Key： OEEPFYFKBOUIEZ-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C(C(=O)O)C1CCCCC1
Computed Properties
- Exact Mass: 224.08718
- Monoisotopic Mass: 224.0871
- 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
- Topological Polar Surface Area: 65.5
- XLogP3: 3.8
Experimental Properties
- Density: 1.205
- Boiling Point: 369.6°C at 760 mmHg
- Flash Point: 177.3°C
- Refractive Index: 1.574
- PSA: 37.3
2-cyclohexyl-2-thiophen-3-yl-acetic acid Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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