CAS
1163248-54-1 Purity
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1163248-54-1 Purity
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Specification
PubChem CID 3698726.
The molecular formula is C9H13BO3.
The molecular weight is 180.01 g/mol.
The IUPAC name is "(4-propan-2-yloxyphenyl)boronic acid".
The InChI is "InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3".
The InChIKey is "CJUHQADBFQRIMC-UHFFFAOYSA-N".
The canonical SMILES is "B(C1=CC=C(C=C1)OC(C)C)(O)O".
The CAS number is 153624-46-5.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.