CAS
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Specification
The molecular formula is C10H10O4.
The molecular weight is 194.18 g/mol.
The IUPAC name is 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid.
The InChI is InChI=1S/C10H10O4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2,(H,11,12).
The InChIKey is XUXFXVMZIJMUIO-UHFFFAOYSA-N.
The canonical SMILES is C1COC2=CC=CC(=C2OC1)C(=O)O.
The CAS number is 66410-67-1.
The EC number is 266-350-3.
Yes, it is a canonicalized compound.