5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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![5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0574020d507743ebb5fe969698a66d69.png "5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid")
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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CAS No:
23216-52-6
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Formula:
C25H23NO6
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Chemical Name:
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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Synonyms:
Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methyl-;Salicylic acid,5-[α-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-p-(dimethylamino)benzyl]-3-methyl-;5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid;C.I. 43564;C.I. Mordant Violet 1:1;Mordant Violet 1:1
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CAS No:
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid Basic Attributes
433.45322
433.45
245-497-7
Computed Properties
Molecular Weight:433.5
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:433.15253745
Monoisotopic Mass:433.15253745
Topological Polar Surface Area:115
Heavy Atom Count:32
Complexity:875
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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