2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one
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2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one
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CAS No:
79740-10-6
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Formula:
C12H16O5
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Chemical Name:
2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one
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Synonyms:
79740-10-6;2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one;2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-dimethyl-2-(1-oxobutyl)-;DTXSID001000702
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CAS No:
2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one Basic Attributes
240.25 g/mol
240.09977361 g/mol
Computed Properties
Molecular Weight:240.25
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:240.09977361
Monoisotopic Mass:240.09977361
Topological Polar Surface Area:94.8
Heavy Atom Count:17
Complexity:444
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-butanoyl-3,5,6-trihydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one
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