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CID 602735

PubChem CID
602735
Structure
CID 602735_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
342.4 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 602735.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

chromium;cyclopentane;octane

2.1.2 InChI

InChI=1S/C8H12.2C5H5.2Cr/c1-3-5-7-8-6-4-2;2*1-2-4-5-3-1;;/h3-6H,1-2,7-8H2;2*1-5H;;/q-6;2*-5;;

2.1.3 InChIKey

ZIWXOZFUQAMRGF-UHFFFAOYSA-N

2.1.4 SMILES

[CH2-][CH-][CH-]CC[CH-][CH-][CH2-].[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][CH-][CH-]1.[Cr].[Cr]

2.2 Molecular Formula

C18H22Cr2-16

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
342.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
16
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
342.053160 g/mol
Property Name
Monoisotopic Mass
Property Value
342.053160 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-16
Property Name
Complexity
Property Value
98.2
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
5
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS