4-[(2-Ethylphenyl)amino]-4-oxobutanoic acid

• Catalog Number: ACMA00001016
• Category: Amines
• Molecular Weight: 221.25
• Molecular Formula: C₁₂H₁₄N₂O₂
• Hazard Statements: H317
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H15NO3.

What is the synonym for the compound?

The synonym for the compound is 4-[(2-ethylphenyl)amino]-4-oxobutanoic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 221.25 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(2-ethylanilino)-4-oxobutanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H15NO3/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCC1=CC=CC=C1NC(=O)CCC(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 401629-43-4.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.