CID 592897
PubChem CID
592897
Structure
Molecular Formula
Status
Non-live
Molecular Weight
102.13 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
1,2,3,4,5,6-hexahydropentalene-1,2,3,3a,4,5,6,6a-octaide
InChI=1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H/q-8
VETOCQNEBSVKCE-UHFFFAOYSA-N
[CH-]1[CH-][C-]2[CH-][CH-][CH-][C-]2[CH-]1
C8H6-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
102.13 g/mol
Property Name
XLogP3-AA
Property Value
3.5
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
102.0469501914 g/mol
Property Name
Monoisotopic Mass
Property Value
102.0469501914 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
-8
Property Name
Complexity
Property Value
66
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS