carboxy formate;nickel

C2H2NiO4 — CID 88728514

IUPACcarboxy formate;nickel
SMILESO=COC(=O)O.[Ni]
InChIInChI=1S/C2H2O4.Ni/c3-1-6-2(4)5;/h1H,(H,4,5);
InChIKeyKFRSSBSDRMVEBM-UHFFFAOYSA-N
MW148.73 g/mol
LogP-0.17
Rot. Bonds1

About carboxy formate;nickel

carboxy formate;nickel (PubChem CID 88728514) has the molecular formula C2H2NiO4 and a molecular weight of 148.73 g/mol. Its IUPAC name is carboxy formate;nickel.

Molecular Properties

Compound Namecarboxy formate;nickel
PubChem CID88728514
Molecular FormulaC2H2NiO4
Molecular Weight148.73 g/mol
Exact Mass147.93
IUPAC Namecarboxy formate;nickel
SMILESO=COC(=O)O.[Ni]
InChIInChI=1S/C2H2O4.Ni/c3-1-6-2(4)5;/h1H,(H,4,5);
InChIKeyKFRSSBSDRMVEBM-UHFFFAOYSA-N
XLogP-0.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.73
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxy formate;nickel?
The IUPAC name of carboxy formate;nickel (CID 88728514) is carboxy formate;nickel.
What is the SMILES notation for carboxy formate;nickel?
The canonical SMILES for carboxy formate;nickel is O=COC(=O)O.[Ni].
What is the InChIKey of carboxy formate;nickel?
The InChIKey is KFRSSBSDRMVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.Ni/c3-1-6-2(4)5;/h1H,(H,4,5);.
What are the key properties of carboxy formate;nickel?
carboxy formate;nickel has a molecular weight of 148.73 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy formate;nickel is sourced from PubChem (CID 88728514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).