1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

gallium;quinolin-8-olate

2.1.2 InChI

InChI=1S/3C9H7NO.Ga/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3

2.1.3 InChI Key

KWQNQSDKCINQQP-UHFFFAOYSA-K

2.1.4 Canonical SMILES

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.[Ga+3]

2.2 Other Identifiers

2.2.1 UNII

R3G3HB38O4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. R3g3hb38o4

2. Gallium, Tris(8-quinolinolato)-

3. Tris(8-hydroxyquinolinato)gallium

4. Nkp-2235

5. Ap-002

6. It-235

7. Lx-001

8. Gallium;quinolin-8-olate

9. Unii-r3g3hb38o4

10. Kp46

11. Nsc 158197

12. Nsc-158197

13. Gallium, Tris(8-quinolinolato-kappan1,kappao8)-

14. Gallium, Tris(8-quinolinolato-.kappa.n1,.kappa.o8)-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₁₈GaN₃O₃
Molecular Weight	502.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	501.06039 g/mol
Monoisotopic Mass	501.06039 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

AP-002