Cas no 1401727-29-4 (5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid)
1401727-29-4 structure
Product Name:5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:1401727-29-4
MF:C5H6N2O3
MW:142.1127409935
CID:2150621
Update Time:2023-08-05
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
- 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid
- 2-methyl-3-oxo-1H-pyrazole-5-carboxylic acid
- GJUJIVCZCCXXOX-UHFFFAOYSA-N
- KM0193
- AB62568
- ST24029491
- Y9543
- Z2236735605
- 1-Methyl-2,5-dihydro-5-oxo-1H-pyraz
-
- Inchi： 1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2,6H,1H3,(H,9,10)
- InChI Key： PEABOOUFKYJUKN-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(=O)O)NN1C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 221
- Topological Polar Surface Area: 69.6
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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