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

• CAS: 4479-74-7
• Catalog Number: ACM4479747
• Category: Other Products
• Molecular Weight: 244.21
• Molecular Formula: C12H8N2O4
• 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
• 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
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 302
• CompoundIs Canonicalized: Yes
• Condition To Avoid: Light Sensitive,Air Sensitive, Hygroscopic
• 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.
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• 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