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CID 595795

PubChem CID
595795
Structure
CID 595795_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
272.27 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 595795.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cobalt;cyclooctane;1,2,3,4,5,6-hexahydropentalene-3a,4,5,6,6a-pentaide

2.1.2 InChI

InChI=1S/C8H9.C8H12.Co/c1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;/h1,3-4H,2,5-6H2;1-2,7-8H,3-6H2;/q-5;-4;

2.1.3 InChIKey

ITXMGWCLYRVPGC-UHFFFAOYSA-N

2.1.4 SMILES

C1C[C-]2[CH-][CH-][CH-][C-]2C1.C1C[CH-][CH-]CC[CH-][CH-]1.[Co]

2.2 Molecular Formula

C16H21Co-9

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
272.27 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
272.097519 g/mol
Property Name
Monoisotopic Mass
Property Value
272.097519 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-9
Property Name
Complexity
Property Value
152
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