Cas no 53649-11-9 (Propanoic acid, bis(dimethylphenyl)-)
53649-11-9 structure
Product Name:Propanoic acid, bis(dimethylphenyl)-
CAS No:53649-11-9
MF:C19H22O2
MW:282.376785755157
CID:356773
PubChem ID:71365121
Update Time:2025-04-19
Propanoic acid, bis(dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, bis(dimethylphenyl)-
- 2,2-bis(2,3-dimethylphenyl)propanoic acid
- 53649-11-9
- DTXSID00788553
-
- Inchi： 1S/C19H22O2/c1-12-8-6-10-16(14(12)3)19(5,18(20)21)17-11-7-9-13(2)15(17)4/h6-11H,1-5H3,(H,20,21)
- InChI Key： PTWVZTCTWQTYBY-UHFFFAOYSA-N
- SMILES： OC(C(C)(C1C=CC=C(C)C=1C)C1C=CC=C(C)C=1C)=O
Computed Properties
- Exact Mass: 282.16206
- Monoisotopic Mass: 282.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Propanoic acid, bis(dimethylphenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
53649-11-9 (Propanoic acid, bis(dimethylphenyl)-) Related Products
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- 73913-48-1(Deoxy Ketoprofen)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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