Chelidonic Acid Monohydrate

• CAS: 6003-94-7
• Catalog Number: ACM-MO-6003947
• Category: Other Products; Dicarboxylic Acid Monomers
• Molecular Weight: 202.12 g/mol
• Molecular Formula: C7H4O6·H2O
• Synonyms: 4-Oxo-4H-pyran-2,6-dicarboxylic Acid Monohydrate
• IUPAC Name: 4-oxopyran-2,6-dicarboxylic acid;hydrate
• Canonical SMILES: C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O
• InChI: InChI=1S/C7H4O6.H₂O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2
• InChI Key: KJZJAKSEIQOKAK-UHFFFAOYSA-N
• Appearance: White to Orange to Green Powder to Crystal
• Complexity: 316
• Covalently-Bonded Unit Count: 2
• Exact Mass: 202.011353g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 3
• Heavy Atom Count: 14
• Monoisotopic Mass: 202.011353g/mol
• Physical State: Solid
• Rotatable Bond Count: 2