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Bis (cyclopentadienyl) vanadium

CAT: 0127-IN12560-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-IN12560-01Size:250 mg
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CAS Number
1277-47-0
Synonyms
Cyclopenta-1,3-diene; vanadium (2+)
MDL Number
MFCD00058735
Purity
98%
Smiles
C=1C=C(CC=1)[V]C2=CC=CC2

Chemical Information

Vanadocene
CAS Number1277-47-0
PubChem CID71311455
IUPAC Namebis(cyclopenta-1,3-diene);vanadium(2+)
Molecular FormulaC10H10V
Molecular Weight181.13
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity11
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[V+2]
InChI
InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey
YXQWGVLNDXNSJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vanadocene
CAS: 1277-47-0
CID: 71311455
Formula: C10H10V
MW: 181.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass181.022208
Monoisotopic Mass181.022208
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity11.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes