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Structure

4-(Trans-4-propylcyclohexyl)phenylboronic acid

CAS
146862-02-4
Catalog Number
ACM146862024
Category
Boronic Acids
Molecular Weight
246.15g/mol
Molecular Formula
C15H23BO2

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Specification

IUPAC Name
[4-(4-propylcyclohexyl)phenyl]boronic acid
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
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.

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