1,4,5,8-Naphthalenetetracarboxylic acid hydrate

• CAS: 128-97-2
• Catalog Number: ACM128972
• Category: Other Products
• Molecular Weight: 304.21g/mol
• Molecular Formula: C14H8O8
• IUPAC Name: naphthalene-1,4,5,8-tetracarboxylic acid
• Canonical SMILES: C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
• InChI Key: OLAPPGSPBNVTRF-UHFFFAOYSA-N
• Melting Point: 320.0 °C
• Complexity: 423
• Covalently-Bonded Unit Count: 1
• EC Number: 204-924-7
• Exact Mass: 304.021917g/mol
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 4
• Heavy Atom Count: 22
• Monoisotopic Mass: 304.021917g/mol
• NSC Number: 66207
• Rotatable Bond Count: 4
• UNII: UNB96NX2F8
• XLogP3: 1.3