Cas no 33975-29-0 (1,2,4-Benzenetricarboxylic acid 4-dodecyl 1,2-dimethyl ester)
33975-29-0 structure
Product Name:1,2,4-Benzenetricarboxylic acid 4-dodecyl 1,2-dimethyl ester
CAS No:33975-29-0
MF:C23H34O6
MW:406.512467861176
CID:2665242
PubChem ID:610231
Update Time:2025-04-21
1,2,4-Benzenetricarboxylic acid 4-dodecyl 1,2-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- LGFGSPGSBBUWGK-UHFFFAOYSA-N
- 1,2,4-Benzenetricarboxylic acid, 4-dodecyl dimethyl ester
- 33975-29-0
- 4-Dodecyl 1,2-dimethyl 1,2,4-benzenetricarboxylate #
- DTXSID201334367
- 1,2,4-Benzenetricarboxylic acid 4-dodecyl 1,2-dimethyl ester
-
- Inchi： 1S/C23H34O6/c1-4-5-6-7-8-9-10-11-12-13-16-29-21(24)18-14-15-19(22(25)27-2)20(17-18)23(26)28-3/h14-15,17H,4-13,16H2,1-3H3
- InChI Key： LGFGSPGSBBUWGK-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=O)OC)=C(C(=O)OC)C=1)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 406.23553880g/mol
- Monoisotopic Mass: 406.23553880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 17
- Complexity: 490
- 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: 7.1
- Topological Polar Surface Area: 78.9?2
1,2,4-Benzenetricarboxylic acid 4-dodecyl 1,2-dimethyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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