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166897-40-1 | Iron, [μ-[ethanedioato(2-)-κO1,κO'2:κO2,κO'1]]bis[ethanedioato(2-)-κO1,κO2]di-, hydrate (1:6)
CAS No: 166897-40-1 Catalog No: AG001WZO MDL No:MFCD00151243
Product Description
Catalog Number:
AG001WZO
Chemical Name:
Iron, [μ-[ethanedioato(2-)-κO1,κO'2:κO2,κO'1]]bis[ethanedioato(2-)-κO1,κO2]di-, hydrate (1:6)
CAS Number:
166897-40-1
Molecular Formula:
C6H12Fe2O18
Molecular Weight:
483.8387
MDL Number:
MFCD00151243
IUPAC Name:
iron(3+);oxalate;hexahydrate
InChI:
InChI=1S/3C2H2O4.2Fe.6H2O/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;6*1H2/q;;;2*+3;;;;;;/p-6
InChI Key:
FWXIZVVTJVNNRX-UHFFFAOYSA-H
SMILES:
[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
Properties
Complexity:
60.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
11
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.872g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
483.834g/mol
Monoisotopic Mass:
483.872g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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