Vanillylmandelic acid (C9H10O5)

Vanillylmandelic acid presents a C9 framework, aromatic rings, a carboxylic acid (formula C9H10O5, CAS 55-10-7). ChemicalTool Reaction can propose ranked disconnections for Vanillylmandelic acid from the SMILES COc1cc(C(O)C(=O)O)ccc1O.

Target: Vanillylmandelic acid
CAS: 55-10-7
Formula: C9H10O5
Approx. MW: 198.17
SMILES: COc1cc(C(O)C(=O)O)ccc1O
PubChem CID: 1245
Approx. carbons: C9

Vanillylmandelic acid structure

Properties

Molecular weight: 198.17

View on PubChem

Vanillylmandelic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Vanillylmandelic acid?

Vanillylmandelic acid has molecular formula C9H10O5. Molecular weight about 198.17 g·mol⁻¹.

What is the CAS number of Vanillylmandelic acid?

The CAS Registry Number for Vanillylmandelic acid is 55-10-7.

Run AI retrosynthesis for Vanillylmandelic acid Target catalog AI tools overview

Open the planner with Vanillylmandelic acid preloaded, then keep routes that match CAS 55-10-7.

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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.