cobalt(2+);formic acid;diformate

C3H4CoO6 — CID 161399171

IUPACcobalt(2+);formic acid;diformate
SMILESO=CO.O=C[O-].O=C[O-].[Co+2]
InChIInChI=1S/3CH2O2.Co/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+2/p-2
InChIKeyVTZWLGLTWRUGFR-UHFFFAOYSA-L
MW194.99 g/mol
LogP-3.57
Rot. Bonds

About cobalt(2+);formic acid;diformate

cobalt(2+);formic acid;diformate (PubChem CID 161399171) has the molecular formula C3H4CoO6 and a molecular weight of 194.99 g/mol. Its IUPAC name is cobalt(2+);formic acid;diformate.

Molecular Properties

Compound Namecobalt(2+);formic acid;diformate
PubChem CID161399171
Molecular FormulaC3H4CoO6
Molecular Weight194.99 g/mol
Exact Mass194.93
IUPAC Namecobalt(2+);formic acid;diformate
SMILESO=CO.O=C[O-].O=C[O-].[Co+2]
InChIInChI=1S/3CH2O2.Co/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+2/p-2
InChIKeyVTZWLGLTWRUGFR-UHFFFAOYSA-L
XLogP-3.57
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.99
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);formic acid;diformate?
The IUPAC name of cobalt(2+);formic acid;diformate (CID 161399171) is cobalt(2+);formic acid;diformate.
What is the SMILES notation for cobalt(2+);formic acid;diformate?
The canonical SMILES for cobalt(2+);formic acid;diformate is O=CO.O=C[O-].O=C[O-].[Co+2].
What is the InChIKey of cobalt(2+);formic acid;diformate?
The InChIKey is VTZWLGLTWRUGFR-UHFFFAOYSA-L. The full InChI is InChI=1S/3CH2O2.Co/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+2/p-2.
What are the key properties of cobalt(2+);formic acid;diformate?
cobalt(2+);formic acid;diformate has a molecular weight of 194.99 g/mol, XLogP of -3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);formic acid;diformate is sourced from PubChem (CID 161399171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).