Home Other Building Blocks Hexanoicacid,2-ethyl-,iron(3+)salt

Hexanoicacid,2-ethyl-,iron(3+)salt

CAS No.:
7321-53-1
Catalog Number:
AG0062RV
Molecular Formula:
C24H45FeO6
Molecular Weight:
485.4555
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Product Description
Catalog Number:
AG0062RV
Chemical Name:
Hexanoicacid,2-ethyl-,iron(3+)salt
CAS Number:
7321-53-1
Molecular Formula:
C24H45FeO6
Molecular Weight:
485.4555
MDL Number:
MFCD00014006
IUPAC Name:
2-ethylhexanoate;iron(3+)
InChI:
InChI=1S/3C8H16O2.Fe/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
InChI Key:
ULUYRVWYCIOFRV-UHFFFAOYSA-K
SMILES:
CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Fe+3]
EC Number:
230-794-6
Properties
Complexity:
93.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.257g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.463g/mol
Monoisotopic Mass:
485.257g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
Properties