CAS
908334-02-1 Purity
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908334-02-1 Purity
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The molecular formula is C12H13BrO2.
The molecular weight is 269.13 g/mol.
The IUPAC name is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane].
The InChI is InChI=1S/C12H13BrO2/c13-11-4-1-3-10-9(11)5-6-12(10)14-7-2-8-15-12/h1,3-4H,2,5-8H2.
The InChIKey is ZNZMJQVYWVDCLZ-UHFFFAOYSA-N.
The canonical SMILES is C1COC2(CCC3=C2C=CC=C3Br)OC1.
The CAS number is 908334-05-4.
The PubChem CID is 45158899.
The XLogP3-AA value is 2.6.
Yes, the compound is canonicalized.