Cas no 54441-63-3 (Benzenepropanoic acid, beta-oxo-, propyl ester)
54441-63-3 structure
Product Name:Benzenepropanoic acid, beta-oxo-, propyl ester
CAS No:54441-63-3
MF:C12H14O3
MW:206.237763881683
CID:354590
Update Time:2023-08-03
Benzenepropanoic acid, beta-oxo-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-oxo-, propyl ester
- Benzenepropanoic acid, beta-oxo-, propyl ester
- propyl 3-oxo-3-phenylpropanoate
- UDVTUIQSPYLVPT-UHFFFAOYSA-N
- 3-oxo-3-phenyl-propionic acid propyl ester
-
- Inchi： 1S/C12H14O3/c1-2-8-15-12(14)9-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key： UDVTUIQSPYLVPT-UHFFFAOYSA-N
- SMILES： O(C(CC(C1C=CC=CC=1)=O)=O)CCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 217
- XLogP3: 2.4
- Topological Polar Surface Area: 43.4
Benzenepropanoic acid, beta-oxo-, propyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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