Phenylmalonic acid (C9H8O4)

Phenylmalonic acid presents a C9 framework, aromatic rings, a carboxylic acid (formula C9H8O4, CAS 2613-89-0). ChemicalTool Reaction can propose ranked disconnections for Phenylmalonic acid from the SMILES O=C(O)C(C(=O)O)c1ccccc1.

Target: Phenylmalonic acid
CAS: 2613-89-0
Formula: C9H8O4
Approx. MW: 180.16
SMILES: O=C(O)C(C(=O)O)c1ccccc1
PubChem CID: 75791
Approx. carbons: C9

Phenylmalonic acid structure

Properties

IUPAC name: 2-phenylpropanedioic acid
Common names: Phenylmalonic acid; 2613-89-0; 2-Phenylmalonic acid; Propanedioic acid, 2-phenyl-; RU78191; 92EX195E1G; NSC-27164; NSC-41697; RU-78191; RefChem:861757
Molecular weight: 180.16
Exact mass: 180.04
InChIKey: WWYDYZMNFQIYPT-UHFFFAOYSA-N

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Phenylmalonic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Phenylmalonic acid?

Phenylmalonic acid has molecular formula C9H8O4. Molecular weight about 180.16 g·mol⁻¹.

What is the CAS number of Phenylmalonic acid?

The CAS Registry Number for Phenylmalonic acid is 2613-89-0.

Run AI retrosynthesis for Phenylmalonic acid Target catalog AI tools overview

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Related targets

Similar compounds

aspirin ((Phenylthioxomethyl)thio)acetic acid [3-(trifluoromethyl)phenyl]acetic acid 2-(2-Chlorophenoxy)propanoic acid 2-(2-Methoxyphenoxy)acetic acid 2-(4-Hydroxyphenyl)propionic acid

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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.