7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid

C7H6HgO2 — CID 11967799

IUPAC7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid
SMILESO=C(O)C1=CC2[Hg]C2C=C1
InChIInChI=1S/C7H6O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyAINRUFPWSLJTCA-UHFFFAOYSA-N
MW322.71 g/mol
LogP1.24
Rot. Bonds1

About 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid

7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid (PubChem CID 11967799) has the molecular formula C7H6HgO2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid.

Molecular Properties

Compound Name7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid
PubChem CID11967799
Molecular FormulaC7H6HgO2
Molecular Weight322.71 g/mol
Exact Mass324.01
IUPAC Name7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid
SMILESO=C(O)C1=CC2[Hg]C2C=C1
InChIInChI=1S/C7H6O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyAINRUFPWSLJTCA-UHFFFAOYSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid?
The IUPAC name of 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid (CID 11967799) is 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid.
What is the SMILES notation for 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid?
The canonical SMILES for 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid is O=C(O)C1=CC2[Hg]C2C=C1.
What is the InChIKey of 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid?
The InChIKey is AINRUFPWSLJTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);.
What are the key properties of 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid?
7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid has a molecular weight of 322.71 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-mercurabicyclo[4.1.0]hepta-2,4-diene-3-carboxylic acid is sourced from PubChem (CID 11967799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).