Cas no 1545792-86-6 (5-(prop-2-ynyloxy)pyridine-2-carboxylic acid)
1545792-86-6 structure
Product Name:5-(prop-2-ynyloxy)pyridine-2-carboxylic acid
CAS No:1545792-86-6
MF:C9H7NO3
MW:177.156782388687
CID:2118699
Update Time:2023-11-19
5-(prop-2-ynyloxy)pyridine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(prop-2-ynyloxy)pyridine-2-carboxylic acid
- 5-(prop-2-yn-1-yloxy)pyridine-2-carboxylic acid
- CID 90373359
- 2-Pyridinecarboxylic acid, 5-(2-propyn-1-yloxy)-
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- Inchi： 1S/C9H7NO3/c1-2-5-13-7-3-4-8(9(11)12)10-6-7/h1,3-4,6H,5H2,(H,11,12)
- InChI Key： UISBKVAXCCPZLU-UHFFFAOYSA-N
- SMILES： O(CC#C)C1=CN=C(C(=O)O)C=C1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 230
- Topological Polar Surface Area: 59.4
Experimental Properties
- Density: 1.302±0.06 g/cm3(Predicted)
- Boiling Point: 362.4±32.0 °C(Predicted)
- pka: 0.93±0.50(Predicted)
5-(prop-2-ynyloxy)pyridine-2-carboxylic acid 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
1545792-86-6 (5-(prop-2-ynyloxy)pyridine-2-carboxylic acid) Related Products
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