3-(3-carboxypropionylamino)phenylboronic acid

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Catalog Number

ACMA00015174

Product Name

3-(3-carboxypropionylamino)phenylboronic acid

Category

Salt

IUPAC Name

4-(3-boronoanilino)-4-oxobutanoic acid

Molecular Weight

237.02g/mol

Molecular Formula

C10H12BNO5

Canonical SMILES

B(C1=CC(=CC=C1)NC(=O)CCC(=O)O)(O)O

InChI

InChI=1S/C10H12BNO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6,16-17H,4-5H2,(H,12,13)(H,14,15)

InChI Key

SVHXAKJLLKGJGC-UHFFFAOYSA-N

Complexity

284

Covalently-Bonded Unit Count

Exact Mass

237.080853g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

237.080853g/mol

Rotatable Bond Count

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