O-Acetylmandelic acid (C10H10O4)

O-Acetylmandelic acid presents a C10 framework, aromatic rings, a carboxylic acid (formula C10H10O4, CAS 5438-68-6). ChemicalTool Reaction can propose ranked disconnections for O-Acetylmandelic acid from the SMILES CC(=O)OC(C(=O)O)c1ccccc1.

Target: O-Acetylmandelic acid
CAS: 5438-68-6
Formula: C10H10O4
Approx. MW: 194.19
SMILES: CC(=O)OC(C(=O)O)c1ccccc1
PubChem CID: 225215
Approx. carbons: C10

O-Acetylmandelic acid structure

Properties

IUPAC name: 2-acetyloxy-2-phenylacetic acid
Common names: 5438-68-6; O-Acetylmandelic acid; RefChem:1093608; O-acetyl mandelic acid; 2-acetyloxy-2-phenylacetic acid; 2-acetoxy-2-phenylacetic acid; 2-Acetyloxy-2-phenyl-acetic acid; DL-O-Acetyl Mandelic Acid; (S)-(+)-O-Acetyl-L-mandelic acid; (acetyloxy)(phenyl)acetic acid
Molecular weight: 194.18
Exact mass: 194.06
InChIKey: OBCUSTCTKLTMBX-UHFFFAOYSA-N

View on PubChem

O-Acetylmandelic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of O-Acetylmandelic acid?

O-Acetylmandelic acid has molecular formula C10H10O4. Molecular weight about 194.19 g·mol⁻¹.

What is the CAS number of O-Acetylmandelic acid?

The CAS Registry Number for O-Acetylmandelic acid is 5438-68-6.

Run AI retrosynthesis for O-Acetylmandelic acid Target catalog AI tools overview

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Related targets

Similar compounds

(+)-O-Acetyl-L-mandelic Acid Benzylmalonic acid m-Phenylenediacetic acid p-Phenylenediacetic acid aspirin 2-Hydroxyquinoline-4-carboxylic acid

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.