CAS
66492-51-1 Purity
98.0%(GC)
66492-51-1 Purity
98.0%(GC)
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Specification
The molecular formula is C4H5BrO2.
The molecular weight is 164.99 g/mol.
The IUPAC name is 2-(bromomethyl)prop-2-enoic acid.
The InChI is InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7).
The InChIKey is NOOYFQLPKUQDNE-UHFFFAOYSA-N.
The canonical SMILES is C=C(CBr)C(=O)O.
The CAS number is 72707-66-5.
The EC number is 276-774-0.
The DSSTox Substance ID is DTXSID30223008.
Yes, it is canonicalized.