3,4-Dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

• Catalog Number: ACMA00002071
• Category: Ethers
• Molecular Weight: 178.18
• Molecular Formula: C₁₀H₉NO₇
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H10O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 178.18 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H10O3/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6-7H,1,4-5H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1COC2=C(C=C(C=C2)C=O)OC1.

What is the CAS number of the compound?

The CAS number of the compound is 67869-90-3.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.3.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

How many rotatable bonds does the compound have?

The compound has 1 rotatable bond.