Cas no 62536-73-6 (2-Propen-1-one,1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-)
62536-73-6 structure
Product Name:2-Propen-1-one,1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
CAS No:62536-73-6
MF:C18H18O5
MW:314.332525730133
CID:441291
Update Time:2024-01-29
2-Propen-1-one,1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-one,1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
- 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
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- Inchi： 1S/C18H18O5/c1-21-13-6-7-14(18(11-13)23-3)15(19)8-4-12-5-9-17(22-2)16(20)10-12/h4-11,20H,1-3H3
- InChI Key： HDZKWHZZUFMNNG-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(OC)C=C1OC)(=O)C=CC1=CC=C(OC)C(O)=C1
Computed Properties
- Exact Mass: 314.11544
- Monoisotopic Mass: 314.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 408
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 65A^2
Experimental Properties
- Density: 1?+-.0.06 g/cm3(Predicted)
- Melting Point: 115 °C(Solv: ethanol (64-17-5))
- Boiling Point: 529.9±50.0 °C(Predicted)
- PSA: 64.99
- pka: 9.47±0.10(Predicted)
2-Propen-1-one,1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)- Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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