AG003P5W

12093-05-9 | Tricarbonyl(cyclooctatetraene)iron(II)

AG003P5W

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CAS Number	12093-05-9
Catalog Number	AG003P5W(AGN-PC-0PFBMI)
Chemical Name	Tricarbonyl(cyclooctatetraene)iron(II)
InChI	InChI=1S/C8H8.3CO.Fe/c1-2-4-6-8-7-5-3-1;3*1-2;/h1-8H;;;;/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;;;;
InChI Key	XAOCYVWRKJTXOL-JGZYGLCTSA-N
MDL Number	MFCD00001755
Molecular Formula	C11H4FeO3
Molecular Weight	239.9927
SMILES	C([Fe]123(C4/C=CC=C/C1=C2C3=4)(C#O)C#O)#O
Synonyms	Cyclooctatetraene Iron Tricarbonyl, 12093-05-9, MFCD00001755, Tricarbonyl(cyclooctatetraene)iron, Cyclooctatetraenetricarbonyliron, Tricarbonylcyclooctatetraene iron, Tricarbonyl(cyclooctatetraene)iron(II), NSC 167370, NSC 168049, 1,3,5,7-Cyclooctatetraeneiron tricarbonyl, T1775, Iron, tricarbonyl(1,3,5,7-cyclooctatetraene)-, Iron, tricarbonyl((1,2,3,4-eta4)-1,3,5,7-cyclooctatetraene)-, Iron, tricarbonyl[(1,2,3,4-.eta.)-1,3,5,7-cyclooctatetraene]-,

Complexity	88.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Exact Mass	243.982g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.027g/mol
Monoisotopic Mass	243.982g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number