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5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
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![5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/76545dca17a948afaf9cf25dd3f96981.png "5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one")
5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
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CAS No:
103847-83-2
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Formula:
C17H13N3O3
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Chemical Name:
5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
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Synonyms:
IMHBP;
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CAS No:
5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one Basic Attributes
307.30300
307.09569129
Computed Properties
Molecular Weight:307.30
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:307.09569129
Monoisotopic Mass:307.09569129
Topological Polar Surface Area:82.9
Heavy Atom Count:23
Complexity:541
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
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