Cas no 27742-10-5 (Dodecanedioic acid,1,12-ditridecyl ester)
27742-10-5 structure
Product Name:Dodecanedioic acid,1,12-ditridecyl ester
CAS No:27742-10-5
MF:C38H74O4
MW:594.99177312851
CID:287575
PubChem ID:119710
Update Time:2025-04-19
Dodecanedioic acid,1,12-ditridecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanedioic acid,1,12-ditridecyl ester
- Ditridecyl dodecanedioate
- 27742-10-5
- SCHEMBL28557
- EINECS 248-634-9
- DTXSID00182092
- NS00028362
-
- Inchi： 1S/C38H74O4/c1-3-5-7-9-11-13-15-19-23-27-31-35-41-37(39)33-29-25-21-17-18-22-26-30-34-38(40)42-36-32-28-24-20-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
- InChI Key： XEEGJDISKZUVQO-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC(=O)OCCCCCCCCCCCCC)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 594.55902
- Monoisotopic Mass: 594.55871084g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 42
- Rotatable Bond Count: 37
- Complexity: 499
- 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: 16.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Dodecanedioic acid,1,12-ditridecyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
27742-10-5 (Dodecanedioic acid,1,12-ditridecyl ester) Related Products
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- 108-55-4(oxane-2,6-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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