mercury(2+);propanoic acid

C3H6HgO2+2 — CID 23623813

IUPACmercury(2+);propanoic acid
SMILESCCC(=O)O.[Hg+2]
InChIInChI=1S/C3H6O2.Hg/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+2
InChIKeyXOEACWQNDBENFL-UHFFFAOYSA-N
MW274.67 g/mol
LogP0.48
Rot. Bonds1

About mercury(2+);propanoic acid

mercury(2+);propanoic acid (PubChem CID 23623813) has the molecular formula C3H6HgO2+2 and a molecular weight of 274.67 g/mol. Its IUPAC name is mercury(2+);propanoic acid.

Molecular Properties

Compound Namemercury(2+);propanoic acid
PubChem CID23623813
Molecular FormulaC3H6HgO2+2
Molecular Weight274.67 g/mol
Exact Mass276.01
IUPAC Namemercury(2+);propanoic acid
SMILESCCC(=O)O.[Hg+2]
InChIInChI=1S/C3H6O2.Hg/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+2
InChIKeyXOEACWQNDBENFL-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 ≤ 500274.67
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 59015039
CID 87066971
CID 87066971
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CID 54601332
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propanoic acid;dihydrochloride
CID 87391840
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887
chromium;propanoic acid
CID 87085581
copper;propanoic acid
CID 5150615
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CID 140795083

Frequently Asked Questions

What is the IUPAC name of mercury(2+);propanoic acid?
The IUPAC name of mercury(2+);propanoic acid (CID 23623813) is mercury(2+);propanoic acid.
What is the SMILES notation for mercury(2+);propanoic acid?
The canonical SMILES for mercury(2+);propanoic acid is CCC(=O)O.[Hg+2].
What is the InChIKey of mercury(2+);propanoic acid?
The InChIKey is XOEACWQNDBENFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Hg/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+2.
What are the key properties of mercury(2+);propanoic acid?
mercury(2+);propanoic acid has a molecular weight of 274.67 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 mercury(2+);propanoic acid is sourced from PubChem (CID 23623813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).