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Chemical structure of 4-Hydroxyindole-3-carboxaldehyde

GC61928

4-Hydroxyindole-3-carboxaldehyde

Also listed as 4-Hydroxy-1H-indole-3-carbaldehyde

4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L

ChemicalCAS81779-27-3MW161.16FormulaC9H7NO2
CAS number
81779-27-3
Molecular weight
161.16
Formula
C9H7NO2
Solubility
DMSO ： 9·09 mg/mL (56·40 mM; ultrasonic and warming and heat to 60°C)
InChIKey
QLBZIZLLMNWTHG-UHFFFAOYSA-N
Catalogue number
GC61928
Brand
GLPBIO
Computed properties PubChem CID 9815282 · XLogP 1.2 · TPSA 53.1 Ų · H-bond donors 2
XLogP
1.2
TPSA
53.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

SMILES C1=CC2=C(C(=C1)O)C(=CN2)C=O

Computed descriptors from PubChem (CID 9815282), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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