Cas no 910649-35-3 (4-(5-Hydroxypyridin-3-yl)benzonitrile)
910649-35-3 structure
Product Name:4-(5-Hydroxypyridin-3-yl)benzonitrile
CAS No:910649-35-3
MF:C12H8N2O
MW:196.20472240448
CID:2813321
Update Time:2023-08-07
4-(5-Hydroxypyridin-3-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 4-(5-hydroxypyridin-3-yl)benzonitrile
- 4-(5-hydroxy-3-pyridinyl)benzonitrile
- 5-(4-CYANOPHENYL)-3-HYDROXYPYRIDINE
- 4-(5-Hydroxypyridin-3-yl)benzonitrile
-
- Inchi： 1S/C12H8N2O/c13-6-9-1-3-10(4-2-9)11-5-12(15)8-14-7-11/h1-5,7-8,15H
- InChI Key： VMSDNBJAEMADBX-UHFFFAOYSA-N
- SMILES： OC1=CN=CC(=C1)C1C=CC(C#N)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 250
- XLogP3: 1.8
- Topological Polar Surface Area: 56.9
4-(5-Hydroxypyridin-3-yl)benzonitrile Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
910649-35-3 (4-(5-Hydroxypyridin-3-yl)benzonitrile) Related Products
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