Cas no 61337-32-4 (1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)-)
![1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)- structure](https://ossimg.kuujia.com/scimg/61500/61337-32-4x500.png)
61337-32-4 structure
Product Name:1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)-
CAS No:61337-32-4
MF:C28H30O2
MW:398.536608219147
CID:483460
PubChem ID:12721123
Update Time:2025-04-19
1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)-
- 1-[4-[4-(4-acetylphenyl)phenyl]phenyl]octan-1-one
- DTXSID30508044
- 61337-32-4
- 1-(3~4~-Acetyl[1~1~,2~1~:2~4~,3~1~-terphenyl]-1~4~-yl)octan-1-one
-
- Inchi： 1S/C28H30O2/c1-3-4-5-6-7-8-28(30)27-19-17-26(18-20-27)25-15-13-24(14-16-25)23-11-9-22(10-12-23)21(2)29/h9-20H,3-8H2,1-2H3
- InChI Key： KTNZWTOFIBZUBX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(C(C)=O)=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 398.2247
- Monoisotopic Mass: 398.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 10
- Complexity: 515
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
61337-32-4 (1-Octanone, 1-(4''-acetyl[1,1':4',1''-terphenyl]-4-yl)-) Related Products
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