Basic information
- CAS
77934-57-7- Standard SMILES
O=C(O)C(=O)/C=C/C=C/O- InChIKey
MTOBWJUHQXQURZ-ZPUQHVIOSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
Overview
(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid is a 2-hydroxy-6-oxohexa-2,4-dienoic acid having (2E,4Z)-configuration. It is a conjugate acid of a (2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoate.
Names & identifiers
- Preferred name
- 2-Hydroxymuconic semialdehyde
- IUPAC
- (3E,5E)-6-hydroxy-2-oxohexa-3,5-dienoic acid
Names & synonyms
2-Hydroxymuconic semialdehyde(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid(3E,5E)-6-hydroxy-2-oxohexa-3,5-dienoic acid2-Hydroxymuconate semialdehyde3270-98-22-Hydroxy-6-oxohexa-2,4-dienoate semialdehyde(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid2-hydroxymuconate-6-semialdehyde2-HYDROXY-6-OXO-2,4-HEXADIENOIC ACIDH89BYZ9XEQ77934-57-7SCHEMBL29634171
Show more names
CHEBI:67110Muconaldehydic acid, 2-hydroxy-MTOBWJUHQXQURZ-ZPUQHVIOSA-NLMFA01030926.ALPHA.-HYDROXYMUCONIC SEMIALDEHYDE2,4-Pentadienoic acid, 5-formyl-2-hydroxy-C006822,4-Hexadienoic acid, 2-hydroxy-6-oxo-, (Z,E)-
Database identifiers
- CAS
77934-57-7- PubChem CID
- 5280366
- ChEBI
CHEBI:67110- UNII
- H89BYZ9XEQ
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
3 records
Compound notes
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