butanoic acid;mercury

C4H8HgO2 — CID 87059277

IUPACbutanoic acid;mercury
SMILESCCCC(=O)O.[Hg]
InChIInChI=1S/C4H8O2.Hg/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyFQXUTJBIPIRBLC-UHFFFAOYSA-N
MW288.70 g/mol
LogP0.87
Rot. Bonds2

About butanoic acid;mercury

butanoic acid;mercury (PubChem CID 87059277) has the molecular formula C4H8HgO2 and a molecular weight of 288.70 g/mol. Its IUPAC name is butanoic acid;mercury.

Molecular Properties

Compound Namebutanoic acid;mercury
PubChem CID87059277
Molecular FormulaC4H8HgO2
Molecular Weight288.70 g/mol
Exact Mass290.02
IUPAC Namebutanoic acid;mercury
SMILESCCCC(=O)O.[Hg]
InChIInChI=1S/C4H8O2.Hg/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyFQXUTJBIPIRBLC-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of butanoic acid;mercury?
The IUPAC name of butanoic acid;mercury (CID 87059277) is butanoic acid;mercury.
What is the SMILES notation for butanoic acid;mercury?
The canonical SMILES for butanoic acid;mercury is CCCC(=O)O.[Hg].
What is the InChIKey of butanoic acid;mercury?
The InChIKey is FQXUTJBIPIRBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Hg/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);.
What are the key properties of butanoic acid;mercury?
butanoic acid;mercury has a molecular weight of 288.70 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;mercury is sourced from PubChem (CID 87059277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).