4-(4-Hydroxybut-1-yn-1-yl)benzaldehyde

• CAS: 544707-13-3
• Catalog Number: ACM544707133
• Category: Alcohols
• Molecular Weight: 174.20
• Molecular Formula: C₁₁H₁₀O₂
• Synonyms: CHEMBRDG-BB 4003414;4-(4-HYDROXYBUT-1-YN-1-YL)BENZALDEHYDE
• Hazard Statements: H226-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C11H10O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 174.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(4-hydroxybut-1-ynyl)benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H10O2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,9,12H,2,8H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1C=O)C#CCCO.

What is the CAS number of the compound?

The CAS number of the compound is 544707-13-3.

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 2 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 37.3Ų.