Benzoic acid (C7H6O2)

Looking for routes to Benzoic Acid? Benzoic Acid presents a C7 framework, aromatic rings, a carboxylic acid. Use the planner with prefilled SMILES, or copy O=C(O)c1ccccc1 (CAS 65-85-0).

Target: Benzoic acid
CAS: 65-85-0
Formula: C7H6O2
Approx. MW: 122.12
SMILES: O=C(O)c1ccccc1
PubChem CID: 243
Approx. carbons: C7

Benzoic acid structure

Properties

IUPAC name: benzoic acid
Common names: benzoic acid; 65-85-0; Dracylic acid; benzenecarboxylic acid; Benzeneformic acid; Carboxybenzene; phenylformic acid; Benzenemethanoic acid; Phenylcarboxylic acid; Retardex
Molecular weight: 122.12
Exact mass: 122.04
InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
Melting point: 252.3 °F (NTP, 1992)
Boiling point: 480 °F at 760 mmHg (NTP, 1992)
Density: 1.316 at 82.4 °F (USCG, 1999) - Denser than water; will sink

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Benzoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzoic acid?

Benzoic acid has molecular formula C7H6O2. Molecular weight about 122.12 g·mol⁻¹.

What is the CAS number of Benzoic acid?

The CAS Registry Number for Benzoic acid is 65-85-0.

Run AI retrosynthesis for Benzoic acid Target catalog AI tools overview

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Related targets

Similar compounds

1-Methyl-L-histidine 4-(Chlorosulfonyl)benzoic acid 4-Bromo-2-chlorobenzoic acid 4-Bromobenzoic acid 4-Fluorobenzoic Acid 4-Mercaptobenzoic 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.