(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid
Basic information
- CAS
114828-85-2- Standard SMILES
O=C(O)/C=C\C(=O)/C=C/O- InChIKey
RJJITLLPAKUQGB-BXTBVDPRSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
(2Z,4E)-4-hydroxymuconic semialdehyde is a 3-oxo aldehyde, a muconic semialdehyde and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (2Z,4E)-4-hydroxymuconic semialdehyde(1-).
Names & identifiers
- Preferred name
- (2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid
- IUPAC
- (2Z,5E)-6-hydroxy-4-oxohexa-2,5-dienoic acid
Names & synonyms
(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid114828-85-2(2Z,5E)-6-hydroxy-4-oxohexa-2,5-dienoic acidcis,trans-4-Hydroxymuconic semialdehyde2,4-Hexadienoic acid, 4-hydroxy-6-oxo-, (Z,Z)-CHEBI:18301(2Z,4E)-4-hydroxymuconic semialdehydeC06603
Database identifiers
- CAS
114828-85-2- PubChem CID
- 5280969
- ChEBI
CHEBI:18301
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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