4-(3-Formylphenoxy)butanenitrile

• Catalog Number: ACMA00002193
• Category: Ethers
• Molecular Weight: 189.21
• Molecular Formula: C₁₁H₁₁ClO₄
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H11NO2.

What is the molecular weight of the compound?

The molecular weight is 189.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-(3-formylphenoxy)butanenitrile.

What is the InChI of the compound?

The InChI is InChI=1S/C11H11NO2/c12-6-1-2-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,1-2,7H2.

What is the InChIKey of the compound?

The InChIKey is UQSURVXPSLHIFQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC(=CC(=C1)OCCCC#N)C=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.4.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 5 rotatable bond count.