Cas no 212757-11-4 (Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-)
212757-11-4 structure
Product Name:Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-
CAS No:212757-11-4
MF:C12H14O3S
MW:238.302762508392
CID:285894
PubChem ID:1268173
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-
- (1R,2R)-2-(thiophen-2-ylcarbonyl)cyclohexanecarboxylate
- 212757-11-4
- SCHEMBL3858877
- trans-2-(2-Thiophenecarbonyl)-1-cyclohexanecarboxylic acid,99
- (1R,2R)-2-(thiophene-2-carbonyl)cyclohexane-1-carboxylic acid
-
- Inchi: 1S/C12H14O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h3,6-9H,1-2,4-5H2,(H,14,15)/t8-,9-/m1/s1
- InChI Key: OHEBPHKWGCMUNK-RKDXNWHRSA-N
- SMILES: S1C=CC=C1C([C@@H]1CCCC[C@H]1C(=O)O)=O
Computed Properties
- Exact Mass: 237.05859
- Monoisotopic Mass: 238.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: -1
- XLogP3: 3.3
- Topological Polar Surface Area: 57.2
Experimental Properties
- Color/Form: Not available
- Density: 1.2650 (rough estimate)
- Melting Point: 179-184°C
- Boiling Point: 350.9°C (rough estimate)
- Refractive Index: 1.5050 (estimate)
- PSA: 57.2
- Solubility: Not available
Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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