Cas no 16619-10-6 (1,4,6-Heptatrien-3-one, 1,7-diphenyl-)
16619-10-6 structure
Product Name:1,4,6-Heptatrien-3-one, 1,7-diphenyl-
CAS No:16619-10-6
MF:C19H16O
MW:260.329745292664
CID:1346481
PubChem ID:4507725
Update Time:2025-04-20
1,4,6-Heptatrien-3-one, 1,7-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,6-Heptatrien-3-one, 1,7-diphenyl-
- 1,7-diphenylhepta-1,4,6-trien-3-one
- 16619-10-6
- DTXSID60403831
-
- Inchi： 1S/C19H16O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-16H
- InChI Key： ISTXRHJZVWZATL-UHFFFAOYSA-N
- SMILES： O=C(C=CC=CC1C=CC=CC=1)C=CC1C=CC=CC=1
Computed Properties
- Exact Mass: 260.120115130g/mol
- Monoisotopic Mass: 260.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1?2
1,4,6-Heptatrien-3-one, 1,7-diphenyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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