(2,4-Dihydroxybenzoato-O1,O2)hydroxycopper

• CAS: 69868-09-3
• Catalog Number: ACM69868093-1
• Category: Other Products
• Molecular Weight: 233.67
• Molecular Formula: C7H6CuO5
• Synonyms: Copper;2-carboxy-5-hydroxyphenolate;hydroxide
• IUPAC Name: copper 2,4-dihydroxybenzoate hydroxide
• Canonical SMILES: C1=CC(=C(C=C1O)[O-])C(=O)O.[OH-].[Cu+2]
• InChI: InChI=1S/C7H6O4.Cu.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,8-9H,(H,10,11);1H2/q;+2;/p-2
• InChI Key: MZCSXSKMYAZJHK-UHFFFAOYSA-L
• Boiling Point: 414.8ºC at 760 mmHg
• Flash Point: 218.8ºC
• EC Number: 274-171-7
• Exact Mass: 232.95112
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 3
• Monoisotopic Mass: 232.95112
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 81.6 Ų