4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid
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4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid
structure -
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CAS No:
64137-49-1
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Formula:
C27H22N4O6
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Chemical Name:
4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid
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Synonyms:
Benzoic acid,4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-;Benzoic acid,4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadienyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-;4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid
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CAS No:
4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid Basic Attributes
498.48678
498.49
264-702-0
4-[4-[5-[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid Use and Manufacturing
Benzoic acid, 4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:498.5
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:498.15393443
Monoisotopic Mass:498.15393443
Topological Polar Surface Area:140
Heavy Atom Count:37
Complexity:1120
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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