Cas no 54762-86-6 (Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel-)
![Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel- structure](https://ossimg.kuujia.com/scimg/55000/54762-86-6x500.png)
54762-86-6 structure
Product Name:Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel-
CAS No:54762-86-6
MF:C15H18O
MW:214.302824497223
CID:368069
PubChem ID:21118361
Update Time:2025-04-19
Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel-
- 1-[4-(3-bicyclo[2.2.1]heptanyl)phenyl]ethanone
- endo-1-(4-bicyclo[2.2.1]hept-2-ylphenyl)ethan-1-one
- 1-[4-(bicyclo[2.2.1]hept-2-yl)phenyl]ethanone
- endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one
- Ethanone, 1-(4-(1R,2S,4S)-bicyclo(2.2.1)hept-2-ylphenyl)-, rel-
- DTXSID90886113
- Ethanone, 1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel-
- 54762-86-6
-
- Inchi： 1S/C15H18O/c1-10(16)12-4-6-13(7-5-12)15-9-11-2-3-14(15)8-11/h4-7,11,14-15H,2-3,8-9H2,1H3/t11-,14+,15+/m0/s1
- InChI Key： RIQCUGGXKQATJX-NILFDRSVSA-N
- SMILES： O=C(C)C1C=CC(=CC=1)[C@H]1C[C@H]2CC[C@@H]1C2
Computed Properties
- Exact Mass: 214.136
- Monoisotopic Mass: 214.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.066
- Boiling Point: 342.8°C at 760 mmHg
- Flash Point: 147.5°C
- Refractive Index: 1.558
Ethanone,1-[4-(1R,2S,4S)-bicyclo[2.2.1]hept-2-ylphenyl]-, rel- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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