177490-82-3 Purity
98%
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Specification
The molecular formula is C9H12BNO4.
The synonyms are 179055-26-6, 4-(methoxy(methyl)carbamoyl)phenylboronic acid, (4-(METHOXY(METHYL)CARBAMOYL)PHENYL)BORONIC ACID, [4-[methoxy(methyl)carbamoyl]phenyl]boronic acid.
The molecular weight is 209.01 g/mol.
The IUPAC name is [4-[methoxy(methyl)carbamoyl]phenyl]boronic acid.
The InChI is InChI=1S/C9H12BNO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3.
The InChIKey is PISDDPDFGJLSQA-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)C(=O)N(C)OC)(O)O.
The CAS number is 179055-26-6.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
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