cobalt(2+);diformate;hydrate

C2H4CoO5 — CID 172711133

IUPACcobalt(2+);diformate;hydrate
SMILESO.O=C[O-].O=C[O-].[Co+2]
InChIInChI=1S/2CH2O2.Co.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeyFGMJKAQADSKUDK-UHFFFAOYSA-L
MW166.98 g/mol
LogP-4.09
Rot. Bonds

About cobalt(2+);diformate;hydrate

cobalt(2+);diformate;hydrate (PubChem CID 172711133) has the molecular formula C2H4CoO5 and a molecular weight of 166.98 g/mol. Its IUPAC name is cobalt(2+);diformate;hydrate.

Molecular Properties

Compound Namecobalt(2+);diformate;hydrate
PubChem CID172711133
Molecular FormulaC2H4CoO5
Molecular Weight166.98 g/mol
Exact Mass166.94
IUPAC Namecobalt(2+);diformate;hydrate
SMILESO.O=C[O-].O=C[O-].[Co+2]
InChIInChI=1S/2CH2O2.Co.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeyFGMJKAQADSKUDK-UHFFFAOYSA-L
XLogP-4.09
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.98
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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+);diformate;hydrate?
The IUPAC name of cobalt(2+);diformate;hydrate (CID 172711133) is cobalt(2+);diformate;hydrate.
What is the SMILES notation for cobalt(2+);diformate;hydrate?
The canonical SMILES for cobalt(2+);diformate;hydrate is O.O=C[O-].O=C[O-].[Co+2].
What is the InChIKey of cobalt(2+);diformate;hydrate?
The InChIKey is FGMJKAQADSKUDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O2.Co.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2.
What are the key properties of cobalt(2+);diformate;hydrate?
cobalt(2+);diformate;hydrate has a molecular weight of 166.98 g/mol, XLogP of -4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);diformate;hydrate is sourced from PubChem (CID 172711133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).