azepane; 2-oxidanyl-1,3,2-benzodioxaborole

Systemtic Name: azepane; 2-oxidanyl-1,3,2-benzodioxaborole Openeye Name: azepane; 2-hydroxy-1,3,2-benzodioxaborole CAS Name: azepane; 2-hydroxy-1,3,2-benzodioxaborole IUPAC Name: azepane; 2-hydroxy-1,3,2-benzodioxaborole Traditional Name: azepane; 2-hydroxy-1,3,2-benzodioxaborole Formula: C12H18BNO3 MolecularWeight: 235.08722

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2O1)O.C1CCCNCC1

Isomeric SMILES

B1(OC2=CC=CC=C2O1)O.C1CCCNCC1

InChI

InChI=1S/C6H5BO3.C6H13N/c8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-6-7-5-3-1/h1-4,8H;7H,1-6H2