1-(4-Methoxyphenyl)-1-pentene-3-one

• Catalog Number: ACMA00002288
• Category: Ethers
• Molecular Weight: 190.24
• Molecular Formula: C₁₂H₁₂O₃
• Hazard Statements: H302-H319
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C12H14O2.

What is the molecular weight of the compound?

The molecular weight is 190.24 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (E)-1-(4-methoxyphenyl)pent-1-en-3-one.

What is the InChI of the compound?

The InChI is InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+.

What is the InChIKey of the compound?

The InChIKey is SLDQOBRACOQXGE-QPJJXVBHSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCC(=O)C=CC1=CC=C(C=C1)OC.

How many hydrogen bond donor counts does the compound have?

The compound does not have any hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 26.3Ų.