Cas no 69796-53-8 ( )
structure
Product Name:
CAS No:69796-53-8
MF:C24H26O4
MW:378.460847377777
CID:974264
PubChem ID:437090
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dimethyl-4,7-diphenylbicyclo[2.2.2]octane-5,6-dicarboxylic acid
- Bicyclo[2.2.2]octane-2, 5,5-dimethyl-1,8-diphenyl-
- NSC408032
- DTXSID20331308
- 69796-53-8
- Bicyclo[2.2.2]octane-2,5,5-dimethyl-1,8-diphenyl-
- 5,5-Dimethyl-1,8-diphenylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
- NSC-408032
-
-
- Inchi： 1S/C24H26O4/c1-23(2)14-24(16-11-7-4-8-12-16)13-17(15-9-5-3-6-10-15)19(23)18(21(25)26)20(24)22(27)28/h3-12,17-20H,13-14H2,1-2H3,(H,25,26)(H,27,28)
- InChI Key： WAFGKPZUKLMZJF-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)C2C(C3C=CC=CC=3)CC1(C1C=CC=CC=1)CC2(C)C)=O
Computed Properties
- Exact Mass: 378.18318
- Monoisotopic Mass: 378.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 614
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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