19530-88-2 Purity
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Specification
The molecular formula is C16H30FeO4.
The synonyms are Iron 2-ethylhexanoate and Iron bis(2-ethylhexanoate).
The CAS number is 19583-54-1.
The molecular weight is 342.25 g/mol.
The IUPAC name is 2-ethylhexanoate;iron(2+).
The InChI is InChI=1S/2C8H16O2.Fe/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
The InChIKey is SMSVUYQRWYTTLI-UHFFFAOYSA-L.
The Canonical SMILES is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Fe+2].
The EC number is 243-169-8.
The properties include a molecular weight of 342.25 g/mol, a hydrogen bond acceptor count of 4, a rotatable bond count of 8, an exact mass of 342.149345 g/mol, a topological polar surface area of 80.3Ų, a heavy atom count of 21, a complexity of 93.9, and a covalently-bonded unit count of 3.