909709-42-8 Purity
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Specification
The molecular formula is C10H13BO5.
The synonyms are 911312-76-0, 4-ETHOXYCARBONYL-3-METHOXYPHENYLBORONIC ACID, (4-(Ethoxycarbonyl)-3-methoxyphenyl)boronic acid, (4-ethoxycarbonyl-3-methoxyphenyl)boronic acid, and [4-(Ethoxycarbonyl)-3-methoxyphenyl]boronic acid.
The molecular weight is 224.02 g/mol.
The IUPAC name is (4-ethoxycarbonyl-3-methoxyphenyl)boronic acid.
The InChI is InChI=1S/C10H13BO5/c1-3-16-10(12)8-5-4-7(11(13)14)6-9(8)15-2/h4-6,13-14H,3H2,1-2H3.
The InChIKey is KJSHXBOKHSXLJP-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)OCC)OC)(O)O.
The CAS number is 911312-76-0.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.