CID 69092052
PubChem CID
69092052
Structure
Molecular Formula
Status
Non-live
Molecular Weight
516.4 g/mol
Dates
- Create:2012-11-30
Chemical Structure Depiction
InChI=1S/3C9H7NO.3Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h3*1-6,11H;;;
NHXQITLUPLWHDO-UHFFFAOYSA-N
C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Al].[Al].[Al]
C27H21Al3N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
516.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
516.102907 g/mol
Property Name
Monoisotopic Mass
Property Value
516.102907 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.4A^2
Property Name
Heavy Atom Count
Property Value
36
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
138
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
6
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS