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[2,2'-bipyridine]-3,3'-dicarboxylic acid

[2,2'-bipyridine]-3,3'-dicarboxylic acid

CAS: 4433-01-6

Formula: C12H8N2O4

SMILES: OC(=O)C1=CC=CN=C1C1=NC=CC=C1C(O)=O

IUPAC: [2,2'-bipyridine]-3,3'-dicarboxylic acid

InChI: InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)

Composition: C (59.02%), H (3.30%), N (11.47%), O (26.21%)

Molar Mass: 244.206

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.048406746
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey KNVZVRWMLMPTTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.65
Topological Polar Surface Area 100.38
Polarizability 24.18
Ring Count 2
Rotatable Bond Count 3

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