CAS
5940-00-1 Purity
98%
5940-00-1 Purity
98%
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Specification
The molecular formula is C4H7ClO2.
The molecular weight is 122.55 g/mol.
The IUPAC name is 2-chloro-2-methylpropanoic acid.
The InChI is InChI=1S/C4H7ClO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7).
The InChIKey is MYCXCBCDXVFXNE-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C(=O)O)Cl.
The CAS number is 594-58-1.
The European Community (EC) number is 209-846-7.
The UNII is VA5DA6ETV5.
Yes, it is a canonicalized compound.