CAS
137-29-1 Purity
>98.0%(T)
137-29-1 Purity
>98.0%(T)
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Specification
The molecular formula is C20H20CuO4.
The molecular weight is 387.9 g/mol.
The IUPAC Name is copper;(Z)-3-hydroxy-1-phenylbut-2-en-1-one.
The Canonical SMILES is CC(=CC(=O)C1=CC=CC=C1)O.CC(=CC(=O)C1=CC=CC=C1)O.[Cu].
The InChIKey is CAJGWIIPLPMUDM-ATMONBRVSA-N.
The CAS number is 14128-84-8.
There are 4 hydrogen bond acceptors.
There are 4 rotatable bonds.
The topological polar surface area is 74.6 Å2.
Yes, it is a canonicalized compound.