3-Acetylbenzoic acid (C9H8O3)

Looking for routes to 3-Acetylbenzoic acid? 3-Acetylbenzoic acid presents a C9 framework, aromatic rings, a carboxylic acid. Use the planner with prefilled SMILES, or copy CC(=O)c1cccc(C(=O)O)c1 (CAS 586-42-5).

Target: 3-Acetylbenzoic acid
CAS: 586-42-5
Formula: C9H8O3
Approx. MW: 164.16
SMILES: CC(=O)c1cccc(C(=O)O)c1
PubChem CID: 220324
Approx. carbons: C9

3-Acetylbenzoic acid structure

Properties

IUPAC name: 3-acetylbenzoic acid
Common names: 3-Acetylbenzoic acid; 586-42-5; CHZPJUSFUDUEMZ-UHFFFAOYSA-; DTXSID40277572; RefChem:92822; DTXCID30228730; 629-958-3; InChI=1/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12); Benzoic acid, 3-acetyl-; m-acetylbenzoic acid
Molecular weight: 164.16
Exact mass: 164.05
InChIKey: CHZPJUSFUDUEMZ-UHFFFAOYSA-N

View on PubChem

3-Acetylbenzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Acetylbenzoic acid?

3-Acetylbenzoic acid has molecular formula C9H8O3. Molecular weight about 164.16 g·mol⁻¹.

What is the CAS number of 3-Acetylbenzoic acid?

The CAS Registry Number for 3-Acetylbenzoic acid is 586-42-5.

Run AI retrosynthesis for 3-Acetylbenzoic acid Target catalog AI tools overview

Open the planner with 3-Acetylbenzoic acid preloaded, then keep routes that match CAS 586-42-5.

Related targets

Similar compounds

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

Browse the full target catalog

References & tools

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