4-(2-Methoxy-5-methyl-phenyl)-4-oxo-butyric acid

• Catalog Number: ACMA00002274
• Category: Ethers
• Molecular Weight: 222.24
• Molecular Formula: C₁₂H₁₄O₃
• 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 298912?

The molecular formula is C12H14O4.

When was PubChem CID 298912 created and last modified?

It was created on 2005-03-26 and last modified on 2023-11-25.

What is the IUPAC name of the compound?

The IUPAC name is 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid.

What is the molecular weight of the compound?

The molecular weight is 222.24 g/mol.

What is the Canonical SMILES representation of the compound?

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O

How many hydrogen bond donor counts does the compound have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 63.6Ų.

How many rotatable bond counts does the compound have?

It has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the InChIKey of the compound?

The InChIKey is DAVYMGMWMJJLHA-UHFFFAOYSA-N.