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CID 604612

PubChem CID
604612
Structure
CID 604612_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
291.4 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 604612.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

chromium;cyclooctane;1,2,3,4,5-pentamethylcyclopentane

2.1.2 InChI

InChI=1S/C10H15.C8H8.Cr/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;/h1-5H3;1-8H;/q-5;-8;

2.1.3 InChIKey

KHBQPNYZNOTYOS-UHFFFAOYSA-N

2.1.4 SMILES

C[C-]1[C-]([C-]([C-]([C-]1C)C)C)C.[CH-]1[CH-][CH-][CH-][CH-][CH-][CH-][CH-]1.[Cr]

2.2 Molecular Formula

C18H23Cr-13

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
291.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
291.120480 g/mol
Property Name
Monoisotopic Mass
Property Value
291.120480 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-13
Property Name
Complexity
Property Value
145
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