4-(4-Bromophenyl)-4-oxobutanoic acid

• CAS: 6340-79-0
• Catalog Number: ACM6340790
• Category: Bromine Series
• Molecular Weight: 257.08
• Molecular Formula: C₁₀H₉BrO₃

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H9BrO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 257.08 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1C(=O)CCC(=O)O)Br.

What is the CAS number of the compound?

The CAS number of the compound is 6340-79-0.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.1.

How many hydrogen bond donor count 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 of the compound is 54.4Ų.