Cas no 18699-46-2 (Diundecyl benzene-1,3-dicarboxylate)
18699-46-2 structure
Product Name:Diundecyl benzene-1,3-dicarboxylate
CAS No:18699-46-2
MF:C30H50O4
MW:474.715610027313
CID:2785461
Update Time:2023-08-07
Diundecyl benzene-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- Diundecyl benzene-1,3-dicarboxylate
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- Inchi： 1S/C30H50O4/c1-3-5-7-9-11-13-15-17-19-24-33-29(31)27-22-21-23-28(26-27)30(32)34-25-20-18-16-14-12-10-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3
- InChI Key： BZDYMMRVECIVTL-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)C(=O)OCCCCCCCCCCC)=O)CCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 24
- Complexity: 448
- XLogP3: 11.7
- Topological Polar Surface Area: 52.6
Diundecyl benzene-1,3-dicarboxylate Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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