5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid

• Catalog Number: ACMA00002298
• Category: Ethers
• Molecular Weight: 236.22
• Molecular Formula: C₁₂H₁₁F₃N₂O₂
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 590826?

The molecular formula is C12H12O5.

What are some synonyms for the compound?

Some synonyms include 5-[3,4-(Methylenedioxy)phenyl]-5-oxovaleric acid and 5-(1,3-Benzodioxol-5-yl)-5-oxopentanoic acid.

What is the molecular weight of the compound?

The molecular weight is 236.22 g/mol.

When was the compound created and last modified in PubChem?

It was created on 2005-03-27 and last modified on 2023-11-25.

What is the IUPAC name of the compound?

The IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-oxopentanoic acid.

What is the InChIKey of the compound?

The InChIKey is IFIGQTZWMXLWRC-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 72.8Ų.

How many rotatable bond counts does the compound have?

The compound has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.