phenylmercury;hydrate

C6H7HgO — CID 7512

IUPACphenylmercury;hydrate
SMILESO.[Hg]c1ccccc1
InChIInChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2
InChIKeyMSYUMXXVCSLXMR-UHFFFAOYSA-N
MW295.71 g/mol
LogP0.03
Rot. Bonds

About phenylmercury;hydrate

phenylmercury;hydrate (PubChem CID 7512) has the molecular formula C6H7HgO and a molecular weight of 295.71 g/mol. Its IUPAC name is phenylmercury;hydrate.

Molecular Properties

Compound Namephenylmercury;hydrate
PubChem CID7512
Molecular FormulaC6H7HgO
Molecular Weight295.71 g/mol
Exact Mass297.02
IUPAC Namephenylmercury;hydrate
SMILESO.[Hg]c1ccccc1
InChIInChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2
InChIKeyMSYUMXXVCSLXMR-UHFFFAOYSA-N
XLogP0.03
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 phenylmercury;hydrate?
The IUPAC name of phenylmercury;hydrate (CID 7512) is phenylmercury;hydrate.
What is the SMILES notation for phenylmercury;hydrate?
The canonical SMILES for phenylmercury;hydrate is O.[Hg]c1ccccc1.
What is the InChIKey of phenylmercury;hydrate?
The InChIKey is MSYUMXXVCSLXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2.
What are the key properties of phenylmercury;hydrate?
phenylmercury;hydrate has a molecular weight of 295.71 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmercury;hydrate is sourced from PubChem (CID 7512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).