Home Carboxys [2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt, hydrate (1:2:3)

[2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt, hydrate (1:2:3)

CAS No.:
207124-63-8
Catalog Number:
AG002IV1
Molecular Formula:
C20H16K2N2O7
Molecular Weight:
474.5468
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Product Description
Catalog Number:
AG002IV1
Chemical Name:
[2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt, hydrate (1:2:3)
CAS Number:
207124-63-8
Molecular Formula:
C20H16K2N2O7
Molecular Weight:
474.5468
MDL Number:
MFCD00191791
IUPAC Name:
dipotassium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate;trihydrate
InChI:
InChI=1S/C20H12N2O4.2K.3H2O/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;;;;/h1-10H,(H,23,24)(H,25,26);;;3*1H2/q;2*+1;;;/p-2
InChI Key:
MUCQANVZZZELIW-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)[O-].O.O.O.[K+].[K+]
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.023g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
474.552g/mol
Monoisotopic Mass:
474.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties