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CID 601816

PubChem CID
601816
Structure
CID 601816_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
288.3 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 601816.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cobalt;cyclooctane;1,3,5-trimethylcyclohexane

2.1.2 InChI

InChI=1S/C9H12.C8H13.Co/c1-7-4-8(2)6-9(3)5-7;1-2-4-6-8-7-5-3-1;/h4-6H,1-3H3;1-2,7H,3-6,8H2;/q-6;-3;

2.1.3 InChIKey

KPKDXSNMWHZYJJ-UHFFFAOYSA-N

2.1.4 SMILES

C[C-]1[CH-][C-]([CH-][C-]([CH-]1)C)C.C1C[CH-]CC[CH-][CH-]C1.[Co]

2.2 Molecular Formula

C17H25Co-9

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
288.3 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
288.128819 g/mol
Property Name
Monoisotopic Mass
Property Value
288.128819 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-9
Property Name
Complexity
Property Value
147
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS