Cas no 89074-52-2 (Tert-butyl 3-oxo-2-phenethylbutanoate)
89074-52-2 structure
Product Name:Tert-butyl 3-oxo-2-phenethylbutanoate
CAS No:89074-52-2
MF:C16H22O3
MW:262.344085216522
CID:613502
Update Time:2023-08-03
Tert-butyl 3-oxo-2-phenethylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, a-acetyl-, 1,1-dimethylethyl ester
- tert-butyl 3-oxo-2-phenethylbutanoate
- ISNGTCNPIDPBSK-UHFFFAOYSA-N
- t-butyl-2-(2-phenylethyl)-3-oxobutyrate
- t-Butyl 2-(2-phenylethyl)-3-oxobutyrate
- Tert-butyl 3-oxo-2-phenethylbutanoate
-
- Inchi： 1S/C16H22O3/c1-12(17)14(15(18)19-16(2,3)4)11-10-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3
- InChI Key： ISNGTCNPIDPBSK-UHFFFAOYSA-N
- SMILES： O(C(C(C(C)=O)CCC1C=CC=CC=1)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 308
- Topological Polar Surface Area: 43.4
Tert-butyl 3-oxo-2-phenethylbutanoate Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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