acetyloxy(phenyl)mercury

C8H8HgO2 — CID 16682730

IUPACacetyloxy(phenyl)mercury
SMILESCC(=O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyXEBWQGVWTUSTLN-UHFFFAOYSA-M
MW336.74 g/mol
LogP0.87
Rot. Bonds2

About acetyloxy(phenyl)mercury

acetyloxy(phenyl)mercury (PubChem CID 16682730) has the molecular formula C8H8HgO2 and a molecular weight of 336.74 g/mol. Its IUPAC name is acetyloxy(phenyl)mercury.

Molecular Properties

Compound Nameacetyloxy(phenyl)mercury
PubChem CID16682730
Molecular FormulaC8H8HgO2
Molecular Weight336.74 g/mol
Exact Mass338.02
IUPAC Nameacetyloxy(phenyl)mercury
SMILESCC(=O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyXEBWQGVWTUSTLN-UHFFFAOYSA-M
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyloxy(phenyl)mercury?
The IUPAC name of acetyloxy(phenyl)mercury (CID 16682730) is acetyloxy(phenyl)mercury.
What is the SMILES notation for acetyloxy(phenyl)mercury?
The canonical SMILES for acetyloxy(phenyl)mercury is CC(=O)O[Hg]c1ccccc1.
What is the InChIKey of acetyloxy(phenyl)mercury?
The InChIKey is XEBWQGVWTUSTLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy(phenyl)mercury?
acetyloxy(phenyl)mercury has a molecular weight of 336.74 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(phenyl)mercury is sourced from PubChem (CID 16682730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).