acetic acid;hydride;nickel

C2H8NiO2-4 — CID 173448047

IUPACacetic acid;hydride;nickel
SMILESCC(=O)O.[H-].[H-].[H-].[H-].[Ni]
InChIInChI=1S/C2H4O2.Ni.4H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;4*-1
InChIKeyGQJYSSSMJZEFEH-UHFFFAOYSA-N
MW122.78 g/mol
LogP0.54
Rot. Bonds

About acetic acid;hydride;nickel

acetic acid;hydride;nickel (PubChem CID 173448047) has the molecular formula C2H8NiO2-4 and a molecular weight of 122.78 g/mol. Its IUPAC name is acetic acid;hydride;nickel.

Molecular Properties

Compound Nameacetic acid;hydride;nickel
PubChem CID173448047
Molecular FormulaC2H8NiO2-4
Molecular Weight122.78 g/mol
Exact Mass121.99
IUPAC Nameacetic acid;hydride;nickel
SMILESCC(=O)O.[H-].[H-].[H-].[H-].[Ni]
InChIInChI=1S/C2H4O2.Ni.4H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;4*-1
InChIKeyGQJYSSSMJZEFEH-UHFFFAOYSA-N
XLogP0.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.78
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze acetic acid;hydride;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;hydride;nickel?
The IUPAC name of acetic acid;hydride;nickel (CID 173448047) is acetic acid;hydride;nickel.
What is the SMILES notation for acetic acid;hydride;nickel?
The canonical SMILES for acetic acid;hydride;nickel is CC(=O)O.[H-].[H-].[H-].[H-].[Ni].
What is the InChIKey of acetic acid;hydride;nickel?
The InChIKey is GQJYSSSMJZEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Ni.4H/c1-2(3)4;;;;;/h1H3,(H,3,4);;;;;/q;;4*-1.
What are the key properties of acetic acid;hydride;nickel?
acetic acid;hydride;nickel has a molecular weight of 122.78 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hydride;nickel is sourced from PubChem (CID 173448047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).