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113809-78-2 | Iron, tetracarbonyl(dicyclohexylphosphine)-
CAS No: 113809-78-2 Catalog No: AG0009RT MDL No:
Product Description
Catalog Number:
AG0009RT
Chemical Name:
Iron, tetracarbonyl(dicyclohexylphosphine)-
CAS Number:
113809-78-2
Molecular Formula:
C16H15FeO4P
Molecular Weight:
358.1067
IUPAC Name:
cyclohexyl-(oxomethylidene)-[2,3,4-tris(oxomethylidene)cyclohexyl]phosphanium;iron
InChI:
InChI=1S/C16H16O4P.Fe/c17-8-12-6-7-16(15(10-19)14(12)9-18)21(11-20)13-4-2-1-3-5-13;/h13,16H,1-7H2;/q+1;
InChI Key:
HAEUFODQFFFKPR-UHFFFAOYSA-N
SMILES:
O=C=C1CC(PC2CCCCC2)C(=C=O)C(=C=O)C1=C=O.[Fe]
Properties
Complexity:
631
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.014g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.119g/mol
Monoisotopic Mass:
359.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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