Cas no 113899-82-4 (Methyl 4-formyl-2,6-dimethylbenzoate)
113899-82-4 structure
Product Name:Methyl 4-formyl-2,6-dimethylbenzoate
CAS No:113899-82-4
MF:C11H12O3
MW:192.211183547974
CID:4680930
Update Time:2023-08-15
Methyl 4-formyl-2,6-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-formyl-2,6-dimethylbenzoate
- Benzoic acid, 4-formyl-2,6-dimethyl-, methyl ester
- Methyl 4-formyl-2,6-dimethylbenzoate
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- Inchi： 1S/C11H12O3/c1-7-4-9(6-12)5-8(2)10(7)11(13)14-3/h4-6H,1-3H3
- InChI Key： YDEBOIHJQFXXBK-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(C)=CC(C=O)=CC=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- XLogP3: 2
- Topological Polar Surface Area: 43.4
Methyl 4-formyl-2,6-dimethylbenzoate Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
113899-82-4 (Methyl 4-formyl-2,6-dimethylbenzoate) Related Products
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