acetic acid;cobalt(3+);trinitrate

C2H4CoN3O11 — CID 174400118

About acetic acid;cobalt(3+);trinitrate

acetic acid;cobalt(3+);trinitrate (PubChem CID 174400118) has the molecular formula C2H4CoN3O11 and a molecular weight of 305.00 g/mol. Its IUPAC name is acetic acid;cobalt(3+);trinitrate.

Molecular Properties

• Compound Name: acetic acid;cobalt(3+);trinitrate
• PubChem CID: 174400118
• Molecular Formula: C2H4CoN3O11
• Molecular Weight: 305.00 g/mol
• Exact Mass: 304.92
• IUPAC Name: acetic acid;cobalt(3+);trinitrate
• SMILES: CC(=O)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3]
• InChI: InChI=1S/C2H4O2.Co.3NO3/c1-2(3)4;;3*2-1(3)4/h1H3,(H,3,4);;;;/q;+3;3*-1
• InChIKey: BMSXKAZWKOAGHZ-UHFFFAOYSA-N
• XLogP: -0.63
• TPSA: 235.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.00
LogP ≤ 5	-0.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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 acetic acid;cobalt(3+);trinitrate?

The IUPAC name of acetic acid;cobalt(3+);trinitrate (CID 174400118) is acetic acid;cobalt(3+);trinitrate.

What is the SMILES notation for acetic acid;cobalt(3+);trinitrate?

The canonical SMILES for acetic acid;cobalt(3+);trinitrate is CC(=O)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3].

What is the InChIKey of acetic acid;cobalt(3+);trinitrate?

The InChIKey is BMSXKAZWKOAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Co.3NO3/c1-2(3)4;;3*2-1(3)4/h1H3,(H,3,4);;;;/q;+3;3*-1.

What are the key properties of acetic acid;cobalt(3+);trinitrate?

acetic acid;cobalt(3+);trinitrate has a molecular weight of 305.00 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;cobalt(3+);trinitrate is sourced from PubChem (CID 174400118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).