2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
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![2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4dbf3f4e547a41f790ec70129f752441.png "2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid")
2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
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CAS No:
652-08-4
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Formula:
C22H18O4
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Chemical Name:
2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
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Synonyms:
652-08-4;NCIStruc1_001178;NCIStruc2_000822;NCI60_000114;2-((4-hydroxy-3-methylphenyl)(3-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoic acid
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CAS No:
2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid Basic Attributes
346.4 g/mol
346.12050905 g/mol
Computed Properties
Molecular Weight:346.4
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:346.12050905
Monoisotopic Mass:346.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:26
Complexity:670
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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