4-(1,3-Benzodioxol-5-yl)benzenecarbaldehyde

• Catalog Number: ACMA00002474
• Category: Ethers
• Molecular Weight: 226.23
• Molecular Formula: C₁₄H₁₀ClFO₂
• 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 4-(1,3-benzodioxol-5-yl)benzaldehyde.

What is the molecular formula of the compound?

The molecular formula of the compound is C14H10O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 226.23 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H10O3/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13/h1-8H,9H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C=O.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 3.

How many hydrogen bond donor counts are there in the compound?

There are 0 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There are 2 rotatable bond counts in the compound.