benzoate;mercury(2+);hydrate

C7H6HgO3 — CID 170843735

IUPACbenzoate;mercury(2+);hydrate
SMILESO.O=C([O-])c1[c-]cccc1.[Hg+2]
InChIInChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;1H2/q-1;+2;/p-1
InChIKeyUWPZFYLBNUSKLK-UHFFFAOYSA-M
MW338.71 g/mol
LogP-0.98
Rot. Bonds1

About benzoate;mercury(2+);hydrate

benzoate;mercury(2+);hydrate (PubChem CID 170843735) has the molecular formula C7H6HgO3 and a molecular weight of 338.71 g/mol. Its IUPAC name is benzoate;mercury(2+);hydrate.

Molecular Properties

Compound Namebenzoate;mercury(2+);hydrate
PubChem CID170843735
Molecular FormulaC7H6HgO3
Molecular Weight338.71 g/mol
Exact Mass340.00
IUPAC Namebenzoate;mercury(2+);hydrate
SMILESO.O=C([O-])c1[c-]cccc1.[Hg+2]
InChIInChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;1H2/q-1;+2;/p-1
InChIKeyUWPZFYLBNUSKLK-UHFFFAOYSA-M
XLogP-0.98
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzoate;mercury(2+);hydrate?
The IUPAC name of benzoate;mercury(2+);hydrate (CID 170843735) is benzoate;mercury(2+);hydrate.
What is the SMILES notation for benzoate;mercury(2+);hydrate?
The canonical SMILES for benzoate;mercury(2+);hydrate is O.O=C([O-])c1[c-]cccc1.[Hg+2].
What is the InChIKey of benzoate;mercury(2+);hydrate?
The InChIKey is UWPZFYLBNUSKLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;1H2/q-1;+2;/p-1.
What are the key properties of benzoate;mercury(2+);hydrate?
benzoate;mercury(2+);hydrate has a molecular weight of 338.71 g/mol, XLogP of -0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoate;mercury(2+);hydrate is sourced from PubChem (CID 170843735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).