3-(Cyclopropylaminocarbonyl)phenylboronic acid

• Catalog Number: ACM850567236
• Product Name: 3-(Cyclopropylaminocarbonyl)phenylboronic acid
• CAS: 850567-23-6
• Category: Boronic Acids
• Synonyms: 3-(CYCLOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID;3-(CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID;3-(Cyclopropylaminocarbonyl)benzeneboronic acid 97%;3-[(N-Cyclopropyl)aminocarbonyl]phenylboronic Acid;3-(cyclopropylcarbamoyl)phenylboronic acid;3-(Cyclopropyl
• IUPAC Name: [3-(cyclopropylcarbamoyl)phenyl]boronic acid
• Molecular Weight: 205.02
• Molecular Formula: C₁₀H₁₂BNO₃
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)NC2CC2)(O)O
• InChI Key: ACYLEYDBPWXTIO-UHFFFAOYSA-N
• Melting Point: 220-226ºC
• Density: 1.28g/cm³
• Appearance: White to light yellow crystal powder
• Exact Mass: 205.09100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H12BNO3.

How is the compound represented in IUPAC nomenclature?

The compound is named as [3-(cyclopropylcarbamoyl)phenyl]boronic acid.

What is the computed InChI of the compound?

The computed InChI of the compound is InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13).

What is the computed InChIKey of the compound?

The computed InChIKey of the compound is ACYLEYDBPWXTIO-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is B(C1=CC(=CC=C1)C(=O)NC2CC2)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 850567-23-6.

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

The European Community (EC) number of the compound is 800-542-5.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 3.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.