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CID 543139

PubChem CID
543139
Structure
CID 543139_small.png
Molecular Formula
Status
Non-live
Molecular Weight
220.96 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 543139.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

dodecane;nickel

2.1.2 InChI

InChI=1S/C12H18.Ni/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-6,11-12H,1-2,7-10H2;/q-8;

2.1.3 InChIKey

ZOVWNHNUGJNWNZ-UHFFFAOYSA-N

2.1.4 SMILES

[CH2-][CH-][CH-]CC[CH-][CH-]CC[CH-][CH-][CH2-].[Ni]

2.2 Molecular Formula

C12H18Ni-8

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
220.96 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
220.076192 g/mol
Property Name
Monoisotopic Mass
Property Value
220.076192 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
-8
Property Name
Complexity
Property Value
61.5
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS