3-Propoxyphenylboronic acid

• Catalog Number: ACM149557186
• Product Name: 3-Propoxyphenylboronic acid
• CAS: 149557-18-6
• Category: Boronic Acids
• Synonyms: AKOS BRN-1010;3-PROPOXYPHENYLBORONIC ACID;3-PROPOXYBENZENEBORONIC ACID;B-(3-Propoxyphenyl)boronic acid;3-Propyloxybenzene boronic acid
• IUPAC Name: (3-propoxyphenyl)boronic acid
• Molecular Weight: 180.01g/mol
• Molecular Formula: C9H13BO3
• Canonical SMILES: B(C1=CC(=CC=C1)OCCC)(O)O
• InChI: InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
• InChI Key: SRSWMXFANVKOFH-UHFFFAOYSA-N
• Complexity: 141
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.095774g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.095774g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the molecular formula of 3-Propoxyphenylboronic acid?

The molecular formula of 3-Propoxyphenylboronic acid is C9H13BO3.

What is the molecular weight of 3-Propoxyphenylboronic acid?

The molecular weight of 3-Propoxyphenylboronic acid is 180.01 g/mol.

When was 3-Propoxyphenylboronic acid created?

3-Propoxyphenylboronic acid was created on September 10, 2005.

When was 3-Propoxyphenylboronic acid last modified?

3-Propoxyphenylboronic acid was last modified on December 2, 2023.

What is the IUPAC name of 3-Propoxyphenylboronic acid?

The IUPAC name of 3-Propoxyphenylboronic acid is (3-propoxyphenyl)boronic acid.

What is the InChI of 3-Propoxyphenylboronic acid?

The InChI of 3-Propoxyphenylboronic acid is InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3.

What is the InChIKey of 3-Propoxyphenylboronic acid?

The InChIKey of 3-Propoxyphenylboronic acid is SRSWMXFANVKOFH-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Propoxyphenylboronic acid?

The canonical SMILES of 3-Propoxyphenylboronic acid is B(C1=CC(=CC=C1)OCCC)(O)O.

What is the CAS number of 3-Propoxyphenylboronic acid?

The CAS number of 3-Propoxyphenylboronic acid is 149557-18-6.

What is the hydrogen bond donor count of 3-Propoxyphenylboronic acid?

The hydrogen bond donor count of 3-Propoxyphenylboronic acid is 2.