Cas no 55000-48-1 (2,4-Dimethylbenzyl 2,5-dimethylbenzoate)
55000-48-1 structure
Product Name:2,4-Dimethylbenzyl 2,5-dimethylbenzoate
CAS No:55000-48-1
MF:C18H20O2
MW:268.350205421448
CID:2185720
PubChem ID:577107
Update Time:2024-02-29
2,4-Dimethylbenzyl 2,5-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Dimethylbenzoic acid (2,4-dimethylphenyl)methyl ester
- (2,4-dimethylphenyl)methyl 2,5-dimethylbenzoate
- 2,4-Dimethylbenzyl 2,5-dimethylbenzoate
- IENKFXNUDJZDBB-UHFFFAOYSA-N
- Benzoic acid, 2,5-dimethyl-, (2,4-dimethylphenyl)methyl ester
- 2,4-Dimethylbenzyl 2,5-dimethylbenzoate #
-
- Inchi： 1S/C18H20O2/c1-12-6-8-16(15(4)9-12)11-20-18(19)17-10-13(2)5-7-14(17)3/h5-10H,11H2,1-4H3
- InChI Key： IENKFXNUDJZDBB-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C)C=CC=1C)=O)CC1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 268.146
- Monoisotopic Mass: 268.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 325
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 4.7
2,4-Dimethylbenzyl 2,5-dimethylbenzoate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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