Cas no 6293-41-0 ( )
structure
Product Name:
CAS No:6293-41-0
MF:C12H22O2
MW:198.301884174347
CID:958325
PubChem ID:222540
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-cyclohexylhexanoic acid
- 4-cyclohexyl-hexanoic acid
- 4-Cyclohexyl-hexansaeure
- AC1L5BWB
- AC1Q5VTR
- AG-J-32113
- AR-1G2050
- CTK5B6708
- NSC8908
- SCHEMBL25429420
- DTXSID90278655
- 6293-41-0
- NSC-8908
-
-
- Inchi： 1S/C12H22O2/c1-2-10(8-9-12(13)14)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,13,14)
- InChI Key： YBPBWSMRTHCKFS-UHFFFAOYSA-N
- SMILES： OC(CCC(CC)C1CCCCC1)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.978
- Boiling Point: 310.3°C at 760 mmHg
- Flash Point: 148.2°C
- Refractive Index: 1.474
- PSA: 37.3
Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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