Cas no 90233-48-0 (Benzoic acid, 4-ethyl-, 4-(ethoxycarbonyl)phenyl ester)
90233-48-0 structure
Product Name:Benzoic acid, 4-ethyl-, 4-(ethoxycarbonyl)phenyl ester
CAS No:90233-48-0
MF:C18H18O4
MW:298.333125591278
CID:791663
PubChem ID:71429673
Update Time:2025-04-19
Benzoic acid, 4-ethyl-, 4-(ethoxycarbonyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-ethyl-, 4-(ethoxycarbonyl)phenyl ester
- (4-ethoxycarbonylphenyl) 4-ethylbenzoate
- DTXSID40848342
- 4-(Ethoxycarbonyl)phenyl 4-ethylbenzoate
- 90233-48-0
-
- Inchi： 1S/C18H18O4/c1-3-13-5-7-15(8-6-13)18(20)22-16-11-9-14(10-12-16)17(19)21-4-2/h5-12H,3-4H2,1-2H3
- InChI Key： CNUQRGNERMDVKD-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)CC)=O)C1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 298.12050905g/mol
- 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: 363
- 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: 4.3
- Topological Polar Surface Area: 52.6?2
Benzoic acid, 4-ethyl-, 4-(ethoxycarbonyl)phenyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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