1-(1,3-Benzodioxol-5-yl)propan-1-ol

• Catalog Number: ACMA00002038
• Category: Ethers
• Molecular Weight: 180.20
• Molecular Formula: C₁₀H₁₂N₂O₂S
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H12O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 180.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(1,3-benzodioxol-5-yl)propan-1-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H12O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5,8,11H,2,6H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is PXFYAFDHWSXVLU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCC(C1=CC2=C(C=C1)OCO2)O.

What is the CAS number of the compound?

The CAS number of the compound is 6890-30-8.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area (TPSA) of the compound?

The topological polar surface area (TPSA) of the compound is 38.7Ų.