Coumarin (C9H6O2)

Looking for routes to coumarin? coumarin presents a C9 framework, aromatic rings. Use the planner with prefilled SMILES, or copy O=c1ccc2ccccc2o1 (CAS 91-64-5).

Target: Coumarin
CAS: 91-64-5
Formula: C9H6O2
Approx. MW: 146.14
SMILES: O=c1ccc2ccccc2o1
PubChem CID: 323
Approx. carbons: C9

Coumarin structure

Properties

IUPAC name: chromen-2-one
Common names: coumarin; 91-64-5; 2H-Chromen-2-one; 2H-1-Benzopyran-2-one; cumarin; 1,2-Benzopyrone; chromen-2-one; Tonka bean camphor; Rattex; Coumarinic anhydride
Molecular weight: 146.14
Exact mass: 146.04
InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Melting point: 154 to 158 °F (NTP, 1992)
Boiling point: 568 °F at 760 mmHg (NTP, 1992)
Density: 0.935 at 68 °F (NTP, 1992) - Less dense than water; will float

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Coumarin 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Coumarin?

Coumarin has molecular formula C9H6O2. Molecular weight about 146.14 g·mol⁻¹.

What is the CAS number of Coumarin?

The CAS Registry Number for Coumarin is 91-64-5.

Run AI retrosynthesis for Coumarin Target catalog AI tools overview

One click loads Coumarin into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

(2-Bromopropyl)benzene (3-Bromopropoxy)benzene (Chloromethyl)dimethylphenylsilane 1-(3-(trifluoromethoxy)phenyl)ethanone 1-(3-Chloropropoxy)-4-fluorobenzene 1-(4-Methylphenyl)ethanol

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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.