Cas no 649756-98-9 (Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester)
649756-98-9 structure
Product Name:Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester
CAS No:649756-98-9
MF:C17H16O3
MW:268.307145118713
CID:410017
PubChem ID:71377631
Update Time:2025-04-19
Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester
- methyl 4-(2,5-dimethylbenzoyl)benzoate
- 649756-98-9
- DTXSID00800264
-
- Inchi： 1S/C17H16O3/c1-11-4-5-12(2)15(10-11)16(18)13-6-8-14(9-7-13)17(19)20-3/h4-10H,1-3H3
- InChI Key： NHXDTXLKIYDIOY-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)OC)=CC=1)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 355
- 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: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
649756-98-9 (Benzoic acid, 4-(2,5-dimethylbenzoyl)-, methyl ester) Related Products
- 604-61-5(Ethyl 2-(Phenylcarbonyl)benzoate)
- 606-28-0(Methyl 2-benzoylbenzoate)
- 103935-10-0(Ethyl 2-acetylbenzoate)
- 50604-01-8(Benzoic acid, 2-ethyl-, methyl ester)
- 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 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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