copper;formic acid;dinitrate

CH2CuN2O8 — CID 159980525

IUPACcopper;formic acid;dinitrate
SMILESO=CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/CH2O2.Cu.2NO3/c2-1-3;;2*2-1(3)4/h1H,(H,2,3);;;/q;+2;2*-1
InChIKeyOFRZVABGGHWCIU-UHFFFAOYSA-N
MW233.58 g/mol
LogP-0.78
Rot. Bonds

About copper;formic acid;dinitrate

copper;formic acid;dinitrate (PubChem CID 159980525) has the molecular formula CH2CuN2O8 and a molecular weight of 233.58 g/mol. Its IUPAC name is copper;formic acid;dinitrate.

Molecular Properties

Compound Namecopper;formic acid;dinitrate
PubChem CID159980525
Molecular FormulaCH2CuN2O8
Molecular Weight233.58 g/mol
Exact Mass232.91
IUPAC Namecopper;formic acid;dinitrate
SMILESO=CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/CH2O2.Cu.2NO3/c2-1-3;;2*2-1(3)4/h1H,(H,2,3);;;/q;+2;2*-1
InChIKeyOFRZVABGGHWCIU-UHFFFAOYSA-N
XLogP-0.78
TPSA169.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.58
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;formic acid;dinitrate?
The IUPAC name of copper;formic acid;dinitrate (CID 159980525) is copper;formic acid;dinitrate.
What is the SMILES notation for copper;formic acid;dinitrate?
The canonical SMILES for copper;formic acid;dinitrate is O=CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;formic acid;dinitrate?
The InChIKey is OFRZVABGGHWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Cu.2NO3/c2-1-3;;2*2-1(3)4/h1H,(H,2,3);;;/q;+2;2*-1.
What are the key properties of copper;formic acid;dinitrate?
copper;formic acid;dinitrate has a molecular weight of 233.58 g/mol, XLogP of -0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;formic acid;dinitrate is sourced from PubChem (CID 159980525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).