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1,5-Cyclooctadiene Rhodium Complex

CAT: 0572-TRC-B077000-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B077000-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73468-85-6
Hazard Statement
No Data Available
Smiles
C1C[CH]2=[CH]3CC[CH]4=[CH]1[Rh+]2345[OH-][Rh+]678([CH]9=[CH]6CC[CH]7=[CH]8CC9)[OH-]5
Molecular Formula
C16 H26 O2 Rh2
Molecular Weight
456.187
InChI
InChI=1S/2C8H12.2H2O.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H2;;/q;;;;2*+1/p-2
Shipping Conditions
Room Temperature

Chemical Information

Hydroxy(1,5-cyclooctadiene)rhodium(I) dimer
CAS Number73468-85-6
PubChem CID11144911
IUPAC Namebis((1Z,5Z)-cycloocta-1,5-diene);bis(rhodium);dihydrate
Molecular FormulaC16H28O2Rh2
Molecular Weight458.20
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity74
SMILES
C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.O.O.[Rh].[Rh]
InChI
InChI=1S/2C8H12.2H2O.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H2;;/b2*2-1-,8-7-;;;;
InChIKey
HSFFMOISCNXZCL-MIXQCLKLSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy(1,5-cyclooctadiene)rhodium(I) dimer
CAS: 73468-85-6
CID: 11144911
Formula: C16H28O2Rh2
MW: 458.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.20
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass458.01992
Monoisotopic Mass458.01992
Topological Polar Surface Area2 Ų
Heavy Atom Count20
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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