Cas no 649757-00-6 (Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester)
649757-00-6 structure
Product Name:Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester
CAS No:649757-00-6
MF:C19H20O3
MW:296.360305786133
CID:410015
PubChem ID:71377629
Update Time:2025-04-19
Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester
- methyl 4-(2,3,5,6-tetramethylbenzoyl)benzoate
- 649757-00-6
- DTXSID80800262
-
- Inchi： 1S/C19H20O3/c1-11-10-12(2)14(4)17(13(11)3)18(20)15-6-8-16(9-7-15)19(21)22-5/h6-10H,1-5H3
- InChI Key： LGZBIIRWYOTPPW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)OC)=CC=1)C1C(C)=C(C)C=C(C)C=1C
Computed Properties
- Exact Mass: 296.1413
- Monoisotopic Mass: 296.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 395
- 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: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
649757-00-6 (Benzoic acid, 4-(2,3,5,6-tetramethylbenzoyl)-, methyl ester) Related Products
- 604-61-5(Ethyl 2-(Phenylcarbonyl)benzoate)
- 606-28-0(Methyl 2-benzoylbenzoate)
- 103935-10-0(Ethyl 2-acetylbenzoate)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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