Cas no 155354-97-5 (1-Hepten-3-one, 1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)-)
155354-97-5 structure
Product Name:1-Hepten-3-one, 1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)-
CAS No:155354-97-5
MF:C21H24O3
MW:324.413466453552
CID:220600
Update Time:2023-11-19
1-Hepten-3-one, 1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)- Chemical and Physical Properties
Names and Identifiers
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- 1-Hepten-3-one,1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)-
- 1-Hepten-3-one,1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (E)-
- DA 293
- CID 101660350
- 1-Hepten-3-one, 1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)-
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- Inchi： 1S/C21H24O3/c1-2-24-21-16-18(13-15-20(21)23)12-14-19(22)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-16,23H,2,6-7,10-11H2,1H3/b14-12+
- InChI Key： QXFPXPUCUAMHLB-WYMLVPIESA-N
- SMILES： O=C(/C=C/C1C=CC(=C(C=1)OCC)O)CCCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 324.173
- Monoisotopic Mass: 324.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 385
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5
1-Hepten-3-one, 1-(3-ethoxy-4-hydroxyphenyl)-7-phenyl-, (1E)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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