oxalate nitrate

C2NO7-3 — CID 22623470

About oxalate nitrate

oxalate nitrate (PubChem CID 22623470) has the molecular formula C2NO7-3 and a molecular weight of 150.02 g/mol. Its IUPAC name is oxalate nitrate.

Molecular Properties

• Compound Name: oxalate nitrate
• PubChem CID: 22623470
• Molecular Formula: C2NO7-3
• Molecular Weight: 150.02 g/mol
• Exact Mass: 149.97
• IUPAC Name: oxalate nitrate
• SMILES: O=C([O-])C(=O)[O-].O=[N+]([O-])[O-]
• InChI: InChI=1S/C2H2O4.NO3/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);/q;-1/p-2
• InChIKey: LDRUMBVYESLDFJ-UHFFFAOYSA-L
• XLogP: -3.75
• TPSA: 146.46 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.02
LogP ≤ 5	-3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of oxalate nitrate?

The IUPAC name of oxalate nitrate (CID 22623470) is oxalate nitrate.

What is the SMILES notation for oxalate nitrate?

The canonical SMILES for oxalate nitrate is O=C([O-])C(=O)[O-].O=[N+]([O-])[O-].

What is the InChIKey of oxalate nitrate?

The InChIKey is LDRUMBVYESLDFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.NO3/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);/q;-1/p-2.

What are the key properties of oxalate nitrate?

oxalate nitrate has a molecular weight of 150.02 g/mol, XLogP of -3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for oxalate nitrate is sourced from PubChem (CID 22623470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).