Cas no 101568-29-0 (Butanoic acid, 3-pyridinyl ester)
101568-29-0 structure
Product Name:Butanoic acid, 3-pyridinyl ester
CAS No:101568-29-0
MF:C9H11NO2
MW:165.189142465591
CID:1130039
Update Time:2024-07-27
Butanoic acid, 3-pyridinyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 3-pyridinyl ester
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- Inchi： 1S/C9H11NO2/c1-2-4-9(11)12-8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3
- InChI Key： RQIXQRYLDZJKRF-UHFFFAOYSA-N
- SMILES： C(OC1=CC=CN=C1)(=O)CCC
Computed Properties
- Exact Mass: 165.07903
Experimental Properties
- Density: 1.077±0.06 g/cm3(Predicted)
- Boiling Point: 118-120 °C(Press: 12 Torr)
- PSA: 39.19
- pka: 3.73±0.10(Predicted)
Butanoic acid, 3-pyridinyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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