Cas no 62584-70-7 (Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-)
![Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- structure](https://ossimg.kuujia.com/scimg/63000/62584-70-7x500.png)
62584-70-7 structure
Product Name:Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-
CAS No:62584-70-7
MF:C22H17NO
MW:311.376485586166
CID:439135
PubChem ID:12340089
Update Time:2025-04-19
Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-
- 3-[3-oxo-3-(4-phenylphenyl)propyl]benzonitrile
- 3-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile
- DTXSID60491854
- 62584-70-7
-
- Inchi： 1S/C22H17NO/c23-16-18-6-4-5-17(15-18)9-14-22(24)21-12-10-20(11-13-21)19-7-2-1-3-8-19/h1-8,10-13,15H,9,14H2
- InChI Key： KHQMCVDVIAONQY-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C2C=CC=CC=2)=CC=1)CCC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 311.13111
- Monoisotopic Mass: 311.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 448
- 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: 4.8
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Benzonitrile, 3-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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