4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
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4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
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CAS No:
857760-67-9
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Formula:
C10H9NO5
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Chemical Name:
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
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Synonyms:
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid;4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate;C05645;SCHEMBL2512104;CHEBI:27593;DTXSID201018072;Q61444911;PubChem 4-(2-Amino-3-Hydroxyphenyl)-2,4-Dioxobutanoic Acid;857760-67-9
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CAS No:
Description
Solid
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid is a dioxo monocarboxylic acid that is benzene in which the hydrogens at position 1, 2 and 3 are replaced by 3-carboxy-3-oxopropanoyl, amino and hydroxy groups, respectively. It is a by-product of tryptophan metabolism. It has a role as a rat metabolite. It is a dioxo monocarboxylic acid, a substituted aniline and a member of phenols. It is a conjugate acid of a 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate.
Computed Properties
Molecular Weight:223.18
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:223.04807239
Monoisotopic Mass:223.04807239
Topological Polar Surface Area:118
Heavy Atom Count:16
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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