acetyloxy(benzyl)mercury

C9H10HgO2 — CID 16684344

IUPACacetyloxy(benzyl)mercury
SMILESCC(=O)O[Hg]Cc1ccccc1
InChIInChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h2-6H,1H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyOXYDASMLWQHHOP-UHFFFAOYSA-M
MW350.77 g/mol
LogP1.75
Rot. Bonds3

About acetyloxy(benzyl)mercury

acetyloxy(benzyl)mercury (PubChem CID 16684344) has the molecular formula C9H10HgO2 and a molecular weight of 350.77 g/mol. Its IUPAC name is acetyloxy(benzyl)mercury.

Molecular Properties

Compound Nameacetyloxy(benzyl)mercury
PubChem CID16684344
Molecular FormulaC9H10HgO2
Molecular Weight350.77 g/mol
Exact Mass352.04
IUPAC Nameacetyloxy(benzyl)mercury
SMILESCC(=O)O[Hg]Cc1ccccc1
InChIInChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h2-6H,1H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyOXYDASMLWQHHOP-UHFFFAOYSA-M
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 51.75
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(benzyl)mercury?
The IUPAC name of acetyloxy(benzyl)mercury (CID 16684344) is acetyloxy(benzyl)mercury.
What is the SMILES notation for acetyloxy(benzyl)mercury?
The canonical SMILES for acetyloxy(benzyl)mercury is CC(=O)O[Hg]Cc1ccccc1.
What is the InChIKey of acetyloxy(benzyl)mercury?
The InChIKey is OXYDASMLWQHHOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h2-6H,1H2;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy(benzyl)mercury?
acetyloxy(benzyl)mercury has a molecular weight of 350.77 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(benzyl)mercury is sourced from PubChem (CID 16684344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).