5-Ethynyl-benzo[1,3]dioxole

• CAS: 57134-53-9
• Catalog Number: ACM57134539
• Category: Other Products
• Molecular Weight: 146.14
• Molecular Formula: C₉H₆O₂
• Synonyms: 5-ETHYNYL-BENZO[1,3]DIOXOLE;5-Ethynyl-1,3-benzodioxole;Einecs 260-583-4;5-Ethynylbenzo[d][1,3]dioxole
• Melting Point: 31°C

Custom Q&A

What is the molecular formula of 5-Ethynyl-benzo[1,3]dioxole?

The molecular formula is C9H6O2.

What is the molecular weight of 5-Ethynyl-benzo[1,3]dioxole?

The molecular weight is 146.14 g/mol.

What is the IUPAC name of 5-Ethynyl-benzo[1,3]dioxole?

The IUPAC name is 5-ethynyl-1,3-benzodioxole.

What is the InChI of 5-Ethynyl-benzo[1,3]dioxole?

The InChI is InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2.

What is the InChIKey of 5-Ethynyl-benzo[1,3]dioxole?

The InChIKey is XMXCRJLWEKHZAV-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Ethynyl-benzo[1,3]dioxole?

The canonical SMILES is C#CC1=CC2=C(C=C1)OCO2.

What is the CAS number of 5-Ethynyl-benzo[1,3]dioxole?

The CAS number is 57134-53-9.

What is the molecular weight of 5-Ethynyl-benzo[1,3]dioxole according to PubChem?

The molecular weight is 146.14 g/mol.

What is the XLogP3 value of 5-Ethynyl-benzo[1,3]dioxole?

The XLogP3 value is 2.2.

Is 5-Ethynyl-benzo[1,3]dioxole a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.