5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid
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5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid
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CAS No:
5422-16-2
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Formula:
C9H8O6
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Chemical Name:
5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid
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Synonyms:
5422-16-2;NSC6141;3-acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid;DTXSID30278114;5-CARBOXYDEHYDROACETIC ACID;NSC-6141;NSC60258;NSC-60258;AKOS024322987;MCULE-5139134501
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CAS No:
5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid Basic Attributes
212.16 g/mol
212.03208797 g/mol
60258|6141
DTXSID30278114
Computed Properties
Molecular Weight:212.16
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:212.03208797
Monoisotopic Mass:212.03208797
Topological Polar Surface Area:97.7
Heavy Atom Count:15
Complexity:403
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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