Cas no 68109-64-8 (2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid)
![2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid structure](https://ossimg.kuujia.com/scimg/68500/68109-64-8x500.png)
68109-64-8 structure
Product Name:2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid
CAS No:68109-64-8
MF:C22H32O6
MW:392.485887527466
CID:1729478
PubChem ID:106581
Update Time:2025-04-21
2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid
- SCHEMBL15224
- Monotridecyl trimellitate
- 1,2,4-Benzenetricarboxylic acid, monotridecyl ester
- 68109-64-8
- Trimellitic acid, monotridecyl ester
- DTXSID80987582
-
- Inchi： 1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-15-28-22(27)19-16-17(20(23)24)13-14-18(19)21(25)26/h13-14,16H,2-12,15H2,1H3,(H,23,24)(H,25,26)
- InChI Key： RJTNLBWQIPNZIC-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C(=O)O)C=CC=1C(=O)O)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 392.21996
- Monoisotopic Mass: 392.21988874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 16
- Complexity: 476
- 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: 7
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.9
2-[(tridecyloxy)carbonyl]benzene-1,4-dicarboxylic acid Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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