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84522-39-4 | Benzeneacetic acid,iron(3+) salt (3:1)
CAS No: 84522-39-4 Catalog No: AG0053WZ MDL No:
Product Description
Catalog Number:
AG0053WZ
Chemical Name:
Benzeneacetic acid,iron(3+) salt (3:1)
CAS Number:
84522-39-4
Molecular Formula:
C24H21FeO6
Molecular Weight:
461.2649
IUPAC Name:
iron(3+);2-phenylacetate
InChI:
InChI=1S/3C8H8O2.Fe/c3*9-8(10)6-7-4-2-1-3-5-7;/h3*1-5H,6H2,(H,9,10);/q;;;+3/p-3
InChI Key:
FYYIAFRCOODGSA-UHFFFAOYSA-K
SMILES:
[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc1ccccc1.[Fe+3]
EC Number:
283-035-6
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.069g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.271g/mol
Monoisotopic Mass:
461.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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