Cas no 61363-91-5 (Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester)
61363-91-5 structure
Product Name:Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester
CAS No:61363-91-5
MF:C13H14O3
MW:218.248464107513
CID:482269
Update Time:2024-01-30
Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester
- BDCAQAAKRKWXFW-VMPITWQZSA-N
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- Inchi： 1S/C13H14O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3/b8-5+
- InChI Key： BDCAQAAKRKWXFW-VMPITWQZSA-N
- SMILES： C(OC/C=C/C1=CC=CC=C1)(=O)CC(=O)C
Computed Properties
- Exact Mass: 218.09432
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
Experimental Properties
- PSA: 43.37
Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
61363-91-5 (Butanoic acid, 3-oxo-, (2E)-3-phenyl-2-propenyl ester) Related Products
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