CID 600116
PubChem CID
600116
Structure
Molecular Formula
Status
Non-live
Molecular Weight
120.19 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
2,3,3a,4,5,6,7,7a-octahydro-1H-indene-4,5,6,7-tetraide
InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5,8-9H,3,6-7H2/q-4
FDEGIJUHYFRNPA-UHFFFAOYSA-N
C1CC2[CH-][CH-][CH-][CH-]C2C1
C9H12-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
120.19 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
120.093900383 g/mol
Property Name
Monoisotopic Mass
Property Value
120.093900383 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
-4
Property Name
Complexity
Property Value
84.2
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
2
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
CONTENTS