CAS
18503-89-4 Purity
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18503-89-4 Purity
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Specification
The molecular formula is C5H11BrO2.
The molecular weight is 183.04 g/mol.
The IUPAC name is 3-bromo-1,1-dimethoxypropane.
The InChI is InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3.
The InChIKey is ODZZAIFAQLODKN-UHFFFAOYSA-N.
The canonical SMILES is COC(CCBr)OC.
The CAS number is 36255-44-4.
The European Community (EC) number is 252-936-6.
The UNII is OD9JKH5WOJ.
Yes, 3-Bromopropionaldehyde dimethyl acetal is considered to be a canonicalized compound.