nickel;propanoic acid

C3H6NiO2 — CID 54601332

IUPACnickel;propanoic acid
SMILESCCC(=O)O.[Ni]
InChIInChI=1S/C3H6O2.Ni/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyNAVSKFYJNZQECG-UHFFFAOYSA-N
MW132.77 g/mol
LogP0.48
Rot. Bonds1

About nickel;propanoic acid

nickel;propanoic acid (PubChem CID 54601332) has the molecular formula C3H6NiO2 and a molecular weight of 132.77 g/mol. Its IUPAC name is nickel;propanoic acid.

Molecular Properties

Compound Namenickel;propanoic acid
PubChem CID54601332
Molecular FormulaC3H6NiO2
Molecular Weight132.77 g/mol
Exact Mass131.97
IUPAC Namenickel;propanoic acid
SMILESCCC(=O)O.[Ni]
InChIInChI=1S/C3H6O2.Ni/c1-2-3(4)5;/h2H2,1H3,(H,4,5);
InChIKeyNAVSKFYJNZQECG-UHFFFAOYSA-N
XLogP0.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.77
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nickel;propanoic acid?
The IUPAC name of nickel;propanoic acid (CID 54601332) is nickel;propanoic acid.
What is the SMILES notation for nickel;propanoic acid?
The canonical SMILES for nickel;propanoic acid is CCC(=O)O.[Ni].
What is the InChIKey of nickel;propanoic acid?
The InChIKey is NAVSKFYJNZQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Ni/c1-2-3(4)5;/h2H2,1H3,(H,4,5);.
What are the key properties of nickel;propanoic acid?
nickel;propanoic acid has a molecular weight of 132.77 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;propanoic acid is sourced from PubChem (CID 54601332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).