2,4-Pyridinedicarboxylic acid hydrate

• CAS: 499-80-9
• Catalog Number: ACM499809
• Category: Other Products
• Molecular Weight: 167.12g/mol
• Molecular Formula: C7H5NO4
• IUPAC Name: pyridine-2,4-dicarboxylic acid
• Canonical SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O
• InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
• InChI Key: MJIVRKPEXXHNJT-UHFFFAOYSA-N
• Melting Point: 249.0 °C
• Solubility: 0.01 M
• Complexity: 204
• Covalently-Bonded Unit Count: 1
• EC Number: 207-892-2
• Exact Mass: 167.021858g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 167.021858g/mol
• NSC Number: 403248
• Rotatable Bond Count: 2
• UNII: AFI29F0TVL
• XLogP3: 0.2