Cas no 37529-08-1 (Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)-)
37529-08-1 structure
Product Name:Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)-
CAS No:37529-08-1
MF:C16H22O2
MW:246.344685077667
CID:308156
PubChem ID:3047744
Update Time:2025-04-19
Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)-
- 2-[4-[(1R,2R)-2-methylcyclohexyl]phenyl]propanoic acid
- 4-(trans-2-Methylcyclohexyl)hydratropsaeure
- Mexoprofen
- Mexoprofene
- Mexoprofeno
- Mexoprofenum
- UNII-3I63VC13V0
- Q27257248
- 37529-08-1
- Mexoprofen [INN:DCF]
- p-(trans-2-Methylcyclohexyl)hydratropic acid
- NS00121191
- 3I63VC13V0
- MEXOPROFEN [INN]
-
- Inchi： 1S/C16H22O2/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16(17)18/h7-12,15H,3-6H2,1-2H3,(H,17,18)/t11-,12?,15-/m1/s1
- InChI Key： DXKIKFNSKJTQBC-KKXIITGPSA-N
- SMILES： OC(C(C)C1C=CC(=CC=1)[C@@H]1CCCC[C@H]1C)=O
Computed Properties
- Exact Mass: 246.16200
- Monoisotopic Mass: 246.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.7
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.046
- Boiling Point: 383.1°Cat760mmHg
- Flash Point: 280°C
- Refractive Index: 1.528
- PSA: 37.30000
- LogP: 4.16840
Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
37529-08-1 (Benzeneacetic acid, a-methyl-4-(2-methylcyclohexyl)-) Related Products
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