Cas no 62171-58-8 (Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester)
62171-58-8 structure
Product Name:Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester
CAS No:62171-58-8
MF:C13H18O2
MW:206.280824184418
CID:455646
PubChem ID:23345333
Update Time:2025-04-19
Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester
- ethyl 2-tert-butylbenzoate
- SCHEMBL1787314
- 62171-58-8
- AKOS020228632
- DTXSID90633245
-
- Inchi： 1S/C13H18O2/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4/h6-9H,5H2,1-4H3
- InChI Key： GSJBZTCJUGDXPA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=CC=1C(C)(C)C)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester Related Literature
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
62171-58-8 (Benzoic acid, 2-(1,1-dimethylethyl)-, ethyl ester) Related Products
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