3,4-dihydroxyphenylacetaldehyde

Ligand id: 6632

Name: 3,4-dihydroxyphenylacetaldehyde

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 152.05
XLogP 0.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-(3,4-dihydroxyphenyl)acetaldehyde
Synonyms
DOPAL
Database Links
CAS Registry No. 5707-55-1 (source: Scifinder)
Human Metabolome Database HMDB03791
PubChem CID 119219
Search Google for chemical match using the InChIKey IADQVXRMSNIUEL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IADQVXRMSNIUEL
Wikipedia 3,4-Dihydroxyphenylacetaldehyde