Cas no 39108-53-7 (3-Pyridinecarbonitrile,1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-)
39108-53-7 structure
Product Name:3-Pyridinecarbonitrile,1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CAS No:39108-53-7
MF:C13H16N2O2
MW:232.278343200684
CID:292191
Update Time:2024-01-27
3-Pyridinecarbonitrile,1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile,1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
- 3-Pyridinecarbonitrile, 1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
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- Inchi： 1S/C13H16N2O2/c1-9-7-12(16)15(13(17)11(9)8-14)10-5-3-2-4-6-10/h7,10,16H,2-6H2,1H3
- InChI Key： LBEXGUINDDHVLM-UHFFFAOYSA-N
- SMILES： C1(=O)N(C2CCCCC2)C(O)=CC(C)=C1C#N
Computed Properties
- Exact Mass: 232.12128
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Boiling Point: 389.2±42.0 °C(Predicted)
- PSA: 64.33
- pka: 3.82±0.58(Predicted)
3-Pyridinecarbonitrile,1-cyclohexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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