N-(4-phenylboronic)succinamic acid

• CAS: 480424-95-1
• Catalog Number: ACM480424951
• Category: Boronic Acids
• Molecular Weight: 237.02
• Molecular Formula: C₁₀H₁₂BNO₅
• Synonyms: 4-Succinamidophenylboronic acid, 578754_ALDRICH, BM085, N-(4-Phenylboronic)succinamic acid, 480424-95-1
• IUPAC Name: 4-(4-boronoanilino)-4-oxobutanoic acid
• Canonical SMILES: B(C1=CC=C(C=C1)NC(=O)CCC(=O)O)(O)O
• InChI Key: VYUCUZOJUHAJLU-UHFFFAOYSA-N
• Melting Point: 165-169ºC(lit.)
• Density: 1.37g/cm³
• Appearance: Solid
• Exact Mass: 237.08100
• H-Bond Acceptor: 5
• H-Bond Donor: 4

Custom Q&A

What is the molecular formula of N-(4-phenylboronic)succinamic acid?

The molecular formula is C10H12BNO5.

What is the molecular weight of N-(4-phenylboronic)succinamic acid?

The molecular weight is 237.02 g/mol.

What is the IUPAC name of N-(4-phenylboronic)succinamic acid?

The IUPAC name is 4-(4-boronoanilino)-4-oxobutanoic acid.

What is the InChI of N-(4-phenylboronic)succinamic acid?

The InChI is InChI=1S/C10H12BNO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4,16-17H,5-6H2,(H,12,13)(H,14,15).

What is the InChIKey of N-(4-phenylboronic)succinamic acid?

The InChIKey is VYUCUZOJUHAJLU-UHFFFAOYSA-N.

What is the canonical SMILES of N-(4-phenylboronic)succinamic acid?

The canonical SMILES is B(C1=CC=C(C=C1)NC(=O)CCC(=O)O)(O)O.

What is the CAS number of N-(4-phenylboronic)succinamic acid?

The CAS number is 480424-95-1.

What is the European Community (EC) number of N-(4-phenylboronic)succinamic acid?

The European Community (EC) number is 671-681-5.

What is the DSSTox Substance ID of N-(4-phenylboronic)succinamic acid?

The DSSTox Substance ID is DTXSID60377705.

Is N-(4-phenylboronic)succinamic acid a canonicalized compound?

Yes, N-(4-phenylboronic)succinamic acid is canonicalized.