Cas no 2346-68-1 (Benzoic acid,2-methyl-6-(2,4,6-trimethylbenzoyl)-)
2346-68-1 structure
Product Name:Benzoic acid,2-methyl-6-(2,4,6-trimethylbenzoyl)-
CAS No:2346-68-1
MF:C18H18O3
MW:282.333725452423
CID:273827
PubChem ID:349083
Update Time:2025-04-19
Benzoic acid,2-methyl-6-(2,4,6-trimethylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-methyl-6-(2,4,6-trimethylbenzoyl)-
- 2-methyl-6-(2,4,6-trimethylbenzoyl)benzoic acid
- 2-Mesitylcarbonyl-6-methyl-benzoesaeure
- 2-Methyl-6-(2,4,6-trimethyl-benzoyl)-benzoesaeure
- 2-methyl-6-(2,4,6-trimethyl-benzoyl)-benzoic acid
- 6-Methyl-2-(2,4,6-trimethyl-benzoyl)-benzoesaeure
- AC1L8AME
- NSC408638
- 2346-68-1
- NSC-408638
- DTXSID10325099
-
- Inchi： 1S/C18H18O3/c1-10-8-12(3)15(13(4)9-10)17(19)14-7-5-6-11(2)16(14)18(20)21/h5-9H,1-4H3,(H,20,21)
- InChI Key： HJLHQJJASRPVGT-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1C(=O)O)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 282.12564
- Monoisotopic Mass: 282.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 391
- 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: 4.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.151
- Boiling Point: 453.8°Cat760mmHg
- Flash Point: 242.4°C
- Refractive Index: 1.585
- PSA: 54.37
- LogP: 3.84940
Benzoic acid,2-methyl-6-(2,4,6-trimethylbenzoyl)- Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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