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14534-87-3 | Benzoic acid, iron(3+) salt (3:1)
CAS No: 14534-87-3 Catalog No: AG001KU1 MDL No:MFCD00050772
Product Description
Catalog Number:
AG001KU1
Chemical Name:
Benzoic acid, iron(3+) salt (3:1)
CAS Number:
14534-87-3
Molecular Formula:
C21H15FeO6
Molecular Weight:
419.1852
MDL Number:
MFCD00050772
IUPAC Name:
iron(3+);tribenzoate
InChI:
InChI=1S/3C7H6O2.Fe/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3
InChI Key:
ITAUHKJMPRCVIH-UHFFFAOYSA-K
SMILES:
[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Fe+3]
EC Number:
238-566-8
Properties
Complexity:
98
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.022g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.19g/mol
Monoisotopic Mass:
419.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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