4-Propylphenylboronic acid

• CAS: 134150-01-9
• Catalog Number: ACM134150019
• Category: Boronic Acids
• Molecular Weight: 164.01g/mol
• Molecular Formula: C9H13BO2
• Synonyms: AKOS BRN-0191;4-(PROPYL)BENZENEBORONIC ACID;4-PROPYLPHENYLBORONIC ACID;P-PROPYLPHENYLBORONIC ACID;4-Propylphenylboric acid;4-n-Propyl Benzoboric Acid;4-Propylphenylboronic;4-PROPYLPHENYLBORIC ACID HPLC 98+%
• IUPAC Name: (4-propylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)CCC)(O)O
• InChI: InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
• InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N
• Complexity: 120
• Covalently-Bonded Unit Count: 1
• EC Number: 603-797-9
• Exact Mass: 164.10086g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 164.10086g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 4-Propylphenylboronic acid?

The molecular formula of 4-Propylphenylboronic acid is C9H13BO2.

What is the molecular weight of 4-Propylphenylboronic acid?

The molecular weight of 4-Propylphenylboronic acid is 164.01 g/mol.

What is the IUPAC name of 4-Propylphenylboronic acid?

The IUPAC name of 4-Propylphenylboronic acid is (4-propylphenyl)boronic acid.

What is the InChI of 4-Propylphenylboronic acid?

The InChI of 4-Propylphenylboronic acid is InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3.

What is the InChIKey of 4-Propylphenylboronic acid?

The InChIKey of 4-Propylphenylboronic acid is WLCGYIWOKVWFLB-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Propylphenylboronic acid?

The Canonical SMILES of 4-Propylphenylboronic acid is B(C1=CC=C(C=C1)CCC)(O)O.

What is the CAS number of 4-Propylphenylboronic acid?

The CAS number of 4-Propylphenylboronic acid is 134150-01-9.

What is the European Community (EC) number of 4-Propylphenylboronic acid?

The European Community (EC) number of 4-Propylphenylboronic acid is 603-797-9.

What is the ChEMBL ID of 4-Propylphenylboronic acid?

The ChEMBL ID of 4-Propylphenylboronic acid is CHEMBL1952295.

Is 4-Propylphenylboronic acid a canonicalized compound?

Yes, 4-Propylphenylboronic acid is a canonicalized compound.