Cas no 2346-69-2 (Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)-)
2346-69-2 structure
Product Name:Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)-
CAS No:2346-69-2
MF:C19H20O3
MW:296.360305786133
CID:257135
PubChem ID:246632
Update Time:2025-04-19
Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)-
- 3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)benzoic acid
- 2-Mesitylcarbonyl-3.6-dimethyl-benzoesaeure
- 3,6-Dimethyl-2-(2,4,6-trimethyl-benzoyl)-benzoesaeure
- 3,6-dimethyl-2-(2,4,6-trimethyl-benzoyl)-benzoic acid
- AC1L6II5
- AC1Q5TEU
- AG-K-02604
- AR-1F0024
- CTK4F1528
- NSC59945
- 2346-69-2
- NSC-59945
- DTXSID10289243
-
- Inchi： 1S/C19H20O3/c1-10-8-13(4)15(14(5)9-10)18(20)16-11(2)6-7-12(3)17(16)19(21)22/h6-9H,1-5H3,(H,21,22)
- InChI Key： XEJDKLQSXXCIEX-UHFFFAOYSA-N
- SMILES： O=C(C1C(C(=O)O)=C(C)C=CC=1C)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 296.1413
- Monoisotopic Mass: 296.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 418
- 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: 4.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.133
- Boiling Point: 442.2°C at 760 mmHg
- Flash Point: 235.4°C
- Refractive Index: 1.58
- PSA: 54.37
- LogP: 4.15780
Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)- Related Literature
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
2346-69-2 (Benzoic acid,3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)-) Related Products
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