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1293-95-4 | Nickelocene, 1,1'-dimethyl-
CAS No: 1293-95-4 Catalog No: AG000Z2K MDL No:
Product Description
Catalog Number:
AG000Z2K
Chemical Name:
Nickelocene, 1,1'-dimethyl-
CAS Number:
1293-95-4
Molecular Formula:
C12H14Ni
Molecular Weight:
216.9330
IUPAC Name:
2-methylcyclopenta-1,3-diene;nickel(2+)
InChI:
InChI=1S/2C6H7.Ni/c2*1-6-4-2-3-5-6;/h2*2,4H,3H2,1H3;/q2*-1;+2
InChI Key:
YNSOQZSDZJQQRM-UHFFFAOYSA-N
SMILES:
C[C-]1C=CC=C1.C[C-]1C=CC=C1.[Ni+2]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.937g/mol
Monoisotopic Mass:
216.045g/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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