Calcium oxalate monohydrate

• CAS: 5794-28-5
• Catalog Number: ACM5794285-1
• Category: Other Products
• Molecular Weight: 146.11
• Molecular Formula: C2H2CaO5
• Synonyms: Calcium oxalate xhydrate
• IUPAC Name: calcium oxalate hydrate
• Canonical SMILES: C(=O)(C(=O)[O-])[O-].O.[Ca+2]
• InChI: InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H2/q;+2;/p-2
• InChI Key: LQHWSGSWNOHVHO-UHFFFAOYSA-L
• Boiling Point: 365.1ºC at 760 mmHg
• Melting Point: 200 °C
• Flash Point: 188.8ºC
• Density: 2.12
• Appearance: Powder
• Exact Mass: 145.952814
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 145.952814
• Packing Group: III
• Rotatable Bond Count: 0
• Safety Description: 24/25
• Topological Polar Surface Area: 81.3 Ų
• WGK Germany: 3