4-(Prop-2-enamidomethyl)benzoic acid

• Catalog Number: ACMA00000967
• Category: Amines
• Molecular Weight: 205.21
• Molecular Formula: C₁₁H₁₀N₂O₃
• Hazard Statements: H302
• 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 C11H11NO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 205.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[(prop-2-enoylamino)methyl]benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H11NO3/c1-2-10(13)12-7-8-3-5-9(6-4-8)11(14)15/h2-6H,1,7H2,(H,12,13)(H,14,15).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C=CC(=O)NCC1=CC=C(C=C1)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 205312-69-2.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 871-703-5.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.2.

Is the compound a canonicalized form?

Yes, the compound is canonicalized.