4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
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![4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/216702fc7ff24f779efbc5fd9613781f.png "4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid")
4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
76552-35-7
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Formula:
C15H10F6N4O6
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Chemical Name:
4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-[3-[3-carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-;1H-Pyrazole-3-carboxylic acid,4-[3-[3-carboxy-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-2-propenylidene]-4,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-;4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
456.2535192
456.25
278-491-8
Computed Properties
Molecular Weight:456.25
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:456.05045302
Monoisotopic Mass:456.05045302
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:962
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
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