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CHEBI:64687 - 2,6-dioxo-6-phenylhexa-3-enoic acid

Default Structure
ChEBI IDCHEBI:64687
ChEBI Name2,6-dioxo-6-phenylhexa-3-enoic acid
Stars
DefinitionA dioxo monocarboxylic acid that is 6-phenylhexa-3-enoic acid bearing oxo substituents at positions 2 and 6.
Last Modified23 August 2024
SubmitterSteve
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILES[H]C(=CC(=O)C(=O)O)CC(=O)c1ccccc1
InChIInChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)
InChIKeyQPGAZPBFRAAJBD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is a aromatic ketone (CHEBI:76224)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is a dioxo monocarboxylic acid (CHEBI:35951)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is a enone (CHEBI:51689)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is conjugate acid of 2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is tautomer of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820)
Incoming Relation(s)
2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675) is conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is tautomer of 2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687)
IUPAC Name 
2,6-dioxo-6-phenylhexa-3-enoic acid
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