Cas no 92035-96-6 ( )
structure
Product Name:
CAS No:92035-96-6
MF:C13H18O2
MW:206.280824184418
CID:997748
PubChem ID:231846
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- 2,4,6-triethylbenzoic acid
- NSC 28612
- 92035-96-6
- NSC28612
- NSC-28612
- DTXSID80282887
- SCHEMBL4847226
-
-
- Inchi： 1S/C13H18O2/c1-4-9-7-10(5-2)12(13(14)15)11(6-3)8-9/h7-8H,4-6H2,1-3H3,(H,14,15)
- InChI Key： GZVJGBAQVVJGKW-UHFFFAOYSA-N
- SMILES： OC(C1C(CC)=CC(CC)=CC=1CC)=O
Computed Properties
- Exact Mass: 206.130679813g/mol
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 199
- 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: 3.8
- Topological Polar Surface Area: 37.3?2
Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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