Cas no 797-21-7 (Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester)
797-21-7 structure
Product Name:Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester
Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester
- methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate
- 10.14272/VCKIQSATAZPKJV-UHFFFAOYSA-N.1
- DTXSID00343621
- VCKIQSATAZPKJV-UHFFFAOYSA-N
- Dimethyl 4,4'-(ethane-1,2-diyl)dibenzoate
- Z3243688859
- 4,4'-DIMETHYLENEBIS(METHYL BENZOATE)
- doi:10.14272/VCKIQSATAZPKJV-UHFFFAOYSA-N.1
- SCHEMBL70185
- Dimethyl 4,4'-ethylenedibenzoate
- AKOS024322221
- 797-21-7
-
- Inchi： 1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3
- InChI Key： VCKIQSATAZPKJV-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)CCC1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 298.12054
- Monoisotopic Mass: 298.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 327
- 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: 4.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester Related Literature
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1. Agricultural
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
797-21-7 (Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester) Related Products
- 148438-03-3(Methyl 4-cyclopropylbenzoate)
- 123910-88-3(4-(4-Hydroxybutyl)benzoic Acid Methyl Ester)
- 17745-40-3(Methyl 4-Propionylbenzoate)
- 98092-75-2(Benzoic acid, 4-(3-hydroxypropyl)-, ethyl ester)
- 23450-30-8(Benzoic acid,4-(phenylmethyl)-, methyl ester)
- 20651-69-8(Methyl 4-Butylbenzoate)
- 22744-50-9(4-(2-Oxo-propyl)-benzoic Acid methyl ester)
- 54256-51-8(Methyl 4-octylbenzoate)
- 7364-20-7(Methyl 4-Ethylbenzoate)
- 785-79-5(4-(2-phenylethyl)benzoic acid)
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