2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid
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![2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4df9e4b08c8444f5b45c023aecd169a4.png "2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid")
2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid
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CAS No:
565193-86-4
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Formula:
C25H20N2O4
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Chemical Name:
2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid
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Synonyms:
565193-86-4;STK588735;ZINC12651916;AKOS001042621;AKOS005511236;MCULE-5438311815;AB00716091-01;Z56894185;2-({(E)-[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoic acid;2-({[2-(2,4-dimethylphenyl)-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-4-ylidene]methyl}amino)benzoic acid
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CAS No:
2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid Basic Attributes
412.4 g/mol
412.14230712 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:412.14230712
Monoisotopic Mass:412.14230712
Topological Polar Surface Area:90.2
Heavy Atom Count:31
Complexity:761
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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