Cas no 100001-81-8 (trans,trans-1-(2-naphthyl)-5-phenyl-2,4-pentadien)
100001-81-8 structure
Product Name:trans,trans-1-(2-naphthyl)-5-phenyl-2,4-pentadien
CAS No:100001-81-8
MF:C21H16O
MW:284.351145744324
CID:1124360
Update Time:2024-07-27
trans,trans-1-(2-naphthyl)-5-phenyl-2,4-pentadien Chemical and Physical Properties
Names and Identifiers
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- trans,trans-1-(2-naphthyl)-5-phenyl-2,4-pentadien
- trans,trans-1-(2-Naphthyl)-5-phenyl-2,4-pentadien-1-one
- 2,4-Pentadien-1-one, 1-(2-naphthalenyl)-5-phenyl-
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- Inchi： 1S/C21H16O/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-16H
- InChI Key： KPPOVOMNCMSREF-UHFFFAOYSA-N
- SMILES： C(C1=CC=C2C(=C1)C=CC=C2)(=O)C=CC=CC1=CC=CC=C1
Computed Properties
- Exact Mass: 284.12018
- Monoisotopic Mass: 284.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 414
- 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
Experimental Properties
- Density: 1.134±0.06 g/cm3(Predicted)
- Boiling Point: 477.0±28.0 °C(Predicted)
- PSA: 0
trans,trans-1-(2-naphthyl)-5-phenyl-2,4-pentadien Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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