3-Ethynyltoluene (C9H8)

3-Ethynyltoluene presents a C9 framework, aromatic rings, unsaturation (formula C9H8, CAS 766-82-5). ChemicalTool Reaction can propose ranked disconnections for 3-Ethynyltoluene from the SMILES C#Cc1cccc(C)c1.

Target: 3-Ethynyltoluene
CAS: 766-82-5
Formula: C9H8
Approx. MW: 116.16
SMILES: C#Cc1cccc(C)c1
PubChem CID: 136600
Approx. carbons: C9

3-Ethynyltoluene structure

Properties

Molecular weight: 116.16

View on PubChem

3-Ethynyltoluene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Ethynyltoluene?

3-Ethynyltoluene has molecular formula C9H8. Molecular weight about 116.16 g·mol⁻¹.

What is the CAS number of 3-Ethynyltoluene?

The CAS Registry Number for 3-Ethynyltoluene is 766-82-5.

Run AI retrosynthesis for 3-Ethynyltoluene Target catalog AI tools overview

One click loads 3-Ethynyltoluene into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

1-Phenyl-1-propyne 1-(allyloxy)-2-bromobenzene 1-Ethenyl-3-methylbenzene 1-Ethynyl-2-methoxybenzene 1-ethynyl-3-methoxybenzene 1-Ethynyl-4-methoxybenzene

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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.