1-(3,4-Methylenedioxy)phenyl-2-butanone

• Catalog Number: ACMA00002181
• Category: Ethers
• Molecular Weight: 192.21
• Molecular Formula: C₁₁H₁₁NO₄
• Hazard Statements: H317
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 89964?

The molecular formula is C11H12O3.

What is the molecular weight of the compound?

The molecular weight is 192.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(1,3-benzodioxol-5-yl)butan-2-one.

What is the InChI of the compound?

The InChI is InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3.

What is the InChIKey of the compound?

The InChIKey is SWKXHWCUDGJLNA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCC(=O)CC1=CC2=C(C=C1)OCO2.

What is the CAS number of the compound?

The CAS number is 23023-13-4.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 35.5 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.