Cas no 63185-69-3 (1,3-Pentanedione, 1-(4-fluoro-3-methoxyphenyl)-)
63185-69-3 structure
Product Name:1,3-Pentanedione, 1-(4-fluoro-3-methoxyphenyl)-
CAS No:63185-69-3
MF:C12H13FO3
MW:224.228227376938
CID:1645814
Update Time:2024-09-12
1,3-Pentanedione, 1-(4-fluoro-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Pentanedione, 1-(4-fluoro-3-methoxyphenyl)-
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- Inchi： 1S/C12H13FO3/c1-3-9(14)7-11(15)8-4-5-10(13)12(6-8)16-2/h4-6H,3,7H2,1-2H3
- InChI Key： GRRYEUPRRLJGES-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(F)C(OC)=C1)(=O)CC(=O)CC
Computed Properties
- Exact Mass: 224.08489
Experimental Properties
- Density: 1.145±0.06 g/cm3(Predicted)
- Boiling Point: 332.6±27.0 °C(Predicted)
- PSA: 43.37
- pka: 8.72±0.23(Predicted)
1,3-Pentanedione, 1-(4-fluoro-3-methoxyphenyl)- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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