formic acid;nickel

CH2NiO2 — CID 57484767

IUPACformic acid;nickel
SMILESO=CO.[Ni]
InChIInChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);
InChIKeyRILTWTZTURZUEO-UHFFFAOYSA-N
MW104.72 g/mol
LogP-0.30
Rot. Bonds

About formic acid;nickel

formic acid;nickel (PubChem CID 57484767) has the molecular formula CH2NiO2 and a molecular weight of 104.72 g/mol. Its IUPAC name is formic acid;nickel.

Molecular Properties

Compound Nameformic acid;nickel
PubChem CID57484767
Molecular FormulaCH2NiO2
Molecular Weight104.72 g/mol
Exact Mass103.94
IUPAC Nameformic acid;nickel
SMILESO=CO.[Ni]
InChIInChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);
InChIKeyRILTWTZTURZUEO-UHFFFAOYSA-N
XLogP-0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.72
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;nickel?
The IUPAC name of formic acid;nickel (CID 57484767) is formic acid;nickel.
What is the SMILES notation for formic acid;nickel?
The canonical SMILES for formic acid;nickel is O=CO.[Ni].
What is the InChIKey of formic acid;nickel?
The InChIKey is RILTWTZTURZUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);.
What are the key properties of formic acid;nickel?
formic acid;nickel has a molecular weight of 104.72 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;nickel is sourced from PubChem (CID 57484767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).