4-(Trans-4-propylcyclohexyl)phenylboronic acid

• Catalog Number: ACM146862024
• Product Name: 4-(Trans-4-propylcyclohexyl)phenylboronic acid
• CAS: 146862-02-4
• Category: Boronic Acids
• IUPAC Name: [4-(4-propylcyclohexyl)phenyl]boronic acid
• Molecular Weight: 246.15g/mol
• Molecular Formula: C15H23BO2
• Canonical SMILES: B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O
• InChI: InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3
• InChI Key: QTBUVZSHCNAPRT-UHFFFAOYSA-N
• Complexity: 229
• Covalently-Bonded Unit Count: 1
• Exact Mass: 246.17911g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 18
• Monoisotopic Mass: 246.17911g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the molecular formula of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The molecular formula is C15H23BO2.

What is the molecular weight of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The molecular weight is 246.15 g/mol.

What is the IUPAC name of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The IUPAC name is [4-(4-propylcyclohexyl)phenyl]boronic acid.

What is the InChI of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The InChI is InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3.

What is the InChIKey of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The InChIKey is QTBUVZSHCNAPRT-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The canonical SMILES is B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O.

What is the CAS number of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The CAS number is 146862-02-4.

What is the EC number of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The EC number is 808-207-5.

What is the hydrogen bond donor count of 4-(Trans-4-propylcyclohexyl)phenylboronic acid?

The hydrogen bond donor count is 2.

Is 4-(Trans-4-propylcyclohexyl)phenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.