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CID 22979529

PubChem CID
22979529
Structure
CID 22979529_small.png
Molecular Formula
Status
Non-live
Molecular Weight
166.2 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 22979529.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

lithium(1-);4-methylquinolin-1-ium-8-olate

2.1.2 InChI

InChI=1S/C10H9NO.Li/c1-7-5-6-11-10-8(7)3-2-4-9(10)12;/h2-6,12H,1H3;/q;-1

2.1.3 InChIKey

KGNOWYPRIHGGJJ-UHFFFAOYSA-N

2.1.4 SMILES

[Li-].CC1=C2C=CC=C(C2=[NH+]C=C1)[O-]

2.2 Molecular Formula

C10H9LiNO-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
166.2 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
166.08441734 g/mol
Property Name
Monoisotopic Mass
Property Value
166.08441734 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.2 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
165
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS