Cas no 63878-51-3 (2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-)
63878-51-3 structure
Product Name:2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-
CAS No:63878-51-3
MF:C20H22O7
MW:374.384486675262
CID:425512
Update Time:2024-03-01
2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-
- 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-
- 2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone
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- Inchi： 1S/C20H22O7/c1-23-14-9-7-12(10-15(14)24-2)6-8-13(21)18-16(25-3)11-17(26-4)20(27-5)19(18)22/h6-11,22H,1-5H3
- InChI Key： HJEVKPPOPFNTMA-UHFFFAOYSA-N
- SMILES： C(C1=C(OC)C=C(OC)C(OC)=C1O)(=O)C=CC1=CC=C(OC)C(OC)=C1
Computed Properties
- Exact Mass: 374.13656
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- XLogP3: 2.552
Experimental Properties
- Density: 1.214±0.06 g/cm3(Predicted)
- Melting Point: 143 °C
- Boiling Point: 586.1±50.0 °C(Predicted)
- PSA: 83.45
- pka: 6.71±0.45(Predicted)
2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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