phenyl(propanoyloxy)mercury

C9H10HgO2 — CID 16682932

IUPACphenyl(propanoyloxy)mercury
SMILESCCC(=O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyOOCYPIXCHKROMD-UHFFFAOYSA-M
MW350.77 g/mol
LogP1.26
Rot. Bonds3

About phenyl(propanoyloxy)mercury

phenyl(propanoyloxy)mercury (PubChem CID 16682932) has the molecular formula C9H10HgO2 and a molecular weight of 350.77 g/mol. Its IUPAC name is phenyl(propanoyloxy)mercury.

Molecular Properties

Compound Namephenyl(propanoyloxy)mercury
PubChem CID16682932
Molecular FormulaC9H10HgO2
Molecular Weight350.77 g/mol
Exact Mass352.04
IUPAC Namephenyl(propanoyloxy)mercury
SMILESCCC(=O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyOOCYPIXCHKROMD-UHFFFAOYSA-M
XLogP1.26
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 ≤ 51.26
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 phenyl(propanoyloxy)mercury?
The IUPAC name of phenyl(propanoyloxy)mercury (CID 16682932) is phenyl(propanoyloxy)mercury.
What is the SMILES notation for phenyl(propanoyloxy)mercury?
The canonical SMILES for phenyl(propanoyloxy)mercury is CCC(=O)O[Hg]c1ccccc1.
What is the InChIKey of phenyl(propanoyloxy)mercury?
The InChIKey is OOCYPIXCHKROMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1.
What are the key properties of phenyl(propanoyloxy)mercury?
phenyl(propanoyloxy)mercury has a molecular weight of 350.77 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(propanoyloxy)mercury is sourced from PubChem (CID 16682932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).