CAS
1451393-00-2 Purity
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1451393-00-2 Purity
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Specification
The molecular formula is C11H17BO3.
The molecular weight is 208.06 g/mol.
The IUPAC name is (4-pentoxyphenyl)boronic acid.
The InChI is InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3.
The InChIKey is WHFKSJLAGACWMF-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)OCCCCC)(O)O.
The CAS number is 146449-90-3.
The EC number is 834-832-8.
The monoisotopic mass is 208.1270746 g/mol.
Yes, (4-Pentyloxyphenyl)boronic acid is canonicalized.