Isovanillin (C8H8O3)

Isovanillin (C8H8O3; CAS 621-59-0) is a practical retrosynthesis target. Isovanillin presents a C8 framework, aromatic rings. Open AI route search in one click below.

Target: Isovanillin
CAS: 621-59-0
Formula: C8H8O3
Approx. MW: 152.15
SMILES: COc1ccc(C=O)cc1O
PubChem CID: 12127
Approx. carbons: C8

Isovanillin structure

Properties

IUPAC name: 3-hydroxy-4-methoxybenzaldehyde
Common names: ISOVANILLIN; 3-Hydroxy-4-methoxybenzaldehyde; 621-59-0; Isovanilline; 5-Formylguaiacol; 3-Hydroxy-p-anisaldehyde; Benzaldehyde, 3-hydroxy-4-methoxy-; iso-Vanillin; 4A9N90H9X6; NSC-82996
Molecular weight: 152.15
Exact mass: 152.05
InChIKey: JVTZFYYHCGSXJV-UHFFFAOYSA-N

View on PubChem

Isovanillin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isovanillin?

Isovanillin has molecular formula C8H8O3. Molecular weight about 152.15 g·mol⁻¹.

What is the CAS number of Isovanillin?

The CAS Registry Number for Isovanillin is 621-59-0.

Run AI retrosynthesis for Isovanillin Target catalog AI tools overview

One click loads Isovanillin into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-Acetylresorcinol Methyl 3-hydroxybenzoate vanillin (1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.