Cas no 62643-57-6 (1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-(4-nitrophenyl)-)
62643-57-6 structure
Product Name:1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-(4-nitrophenyl)-
CAS No:62643-57-6
MF:C18H15NO3
MW:293.316604852676
CID:436713
PubChem ID:54425250
Update Time:2025-04-19
1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-(4-nitrophenyl)-
- 1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
- 62643-57-6
- DTXSID50711235
- SCHEMBL10910107
-
- Inchi： 1S/C18H15NO3/c1-14-2-4-15(5-3-14)8-12-18(20)13-9-16-6-10-17(11-7-16)19(21)22/h2-13H,1H3
- InChI Key： WDQCIBAMUPCEEB-UHFFFAOYSA-N
- SMILES： O=C(C=CC1C=CC(=CC=1)[N+](=O)[O-])C=CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 293.10525
- Monoisotopic Mass: 293.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 434
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.3
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-(4-nitrophenyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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