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1277-47-0 | Vanadocene
CAS No: 1277-47-0 Catalog No: AG000XBX MDL No:
Product Description
Catalog Number:
AG000XBX
Chemical Name:
Vanadocene
CAS Number:
1277-47-0
Molecular Formula:
C10H10V
Molecular Weight:
181.1279
IUPAC Name:
cyclopenta-1,3-diene;vanadium(2+)
InChI:
InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-3H,4H2;/q2*-1;+2
InChI Key:
KTKDULBCFYEWFV-UHFFFAOYSA-N
SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[V+2]
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.131g/mol
Monoisotopic Mass:
181.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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