Cas no 99902-71-3 (6-(4-acetylphenoxy)pyridine-3-carbonitrile)
99902-71-3 structure
Product Name:6-(4-acetylphenoxy)pyridine-3-carbonitrile
CAS No:99902-71-3
MF:C14H10N2O2
MW:238.241403102875
CID:1992924
PubChem ID:514827
Update Time:2025-04-21
6-(4-acetylphenoxy)pyridine-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-(4-acetylphenoxy)pyridine-3-carbonitrile
- 3-pyridinecarbonitrile, 6-(4-acetylphenoxy)-
- DTXSID70244313
- CHEMBL136202
- 99902-71-3
-
- Inchi： 1S/C14H10N2O2/c1-10(17)12-3-5-13(6-4-12)18-14-7-2-11(8-15)9-16-14/h2-7,9H,1H3
- InChI Key： FZBSLZXPXHUBEM-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CN=1)C1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 238.074
- Monoisotopic Mass: 238.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 339
- 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: 2.1
- Topological Polar Surface Area: 63?2
Experimental Properties
- Density: 1.26
- Boiling Point: 418.1°C at 760 mmHg
- Flash Point: 206.7°C
- Refractive Index: 1.604
6-(4-acetylphenoxy)pyridine-3-carbonitrile Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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