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6-(4-Methoxyphenyl)-4-oxohexa-2,5-dienoic acid

HCID 53974319
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=CC(=O)C=CC(=O)O)cc1
InChIKey
JTVLIFCENLZXFQ-UHFFFAOYSA-N
Molecular formula
C13H12O4
Average molar mass
232.23 g/mol

Names & identifiers

Preferred name
6-(4-Methoxyphenyl)-4-oxohexa-2,5-dienoic acid
IUPAC
6-(4-methoxyphenyl)-4-oxohexa-2,5-dienoic acid

Names & synonyms

SCHEMBL10467108

Database identifiers

PubChem CID
53974319

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
322

Related reactions

2 records
New reaction record
HRID 154546 reaction equation
HRID 154546As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1540722 reaction equation
HRID 1540722As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes