CAS
145349-76-4 Purity
98%
145349-76-4 Purity
98%
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Specification
The molecular formula is C15H23BO2.
The molecular weight is 246.15 g/mol.
The IUPAC name is [4-(4-propylcyclohexyl)phenyl]boronic 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.
The InChIKey is QTBUVZSHCNAPRT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O.
The CAS number is 146862-02-4.
The EC number is 808-207-5.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.