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2,2'-Bipyridine-6,6'-dicarboxylic Acid

Catalog Number
ACM4479747
CAS Number
4479-74-7
Product Name
2,2'-Bipyridine-6,6'-dicarboxylic Acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
2,2'-dipyridyl-6,6'-dicarboxylic acid; B3533; [2,2'-Bipyridine]-6,6'-dicarboxylic acid; 2,2'-BIPYRIDINE-6,6'-DICARBOXYLIC ACID; 2,2-bipyridine-6,6-dicarboxylic acid; 6-(6-carboxypyridin-2-yl)pyridine-2-carboxylic Acid; CTK4I8462; CS-W004578; AKOS022175262; CHEMBL3586255;
IUPAC Name
6-(6-carboxypyridin-2-yl)pyridine-2-carboxylic acid
Molecular Weight
244.21
Molecular Formula
C12H8N2O4
Canonical SMILES
C1=CC(=NC(=C1)C(=O)O)C2=NC(=CC=C2)C(=O)O;
InChI
InChI=1S/C12H8N2O4/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChI Key
DASAXWLMIWDYLQ-UHFFFAOYSA-N
Melting Point
288 °C
Purity
>98.0%(GC)(T)
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
302
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
244.04840674g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MDL Number
MFCD11042476
Monoisotopic Mass
244.04840674g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Refractive Index
1.62
Rotatable Bond Count
3
Signal Word
Warning
Specific Gravity
1.16
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.2
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