zinc bis(2-oxoniobenzoate)

C14H12O6Zn+2 — CID 122130224

IUPACzinc bis(2-oxoniobenzoate)
SMILESO=C([O-])c1ccccc1[OH2+].O=C([O-])c1ccccc1[OH2+].[Zn+2]
InChIInChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2
InChIKeyPZXFWBWBWODQCS-UHFFFAOYSA-N
MW341.63 g/mol
LogP-1.03
Rot. Bonds2

About zinc bis(2-oxoniobenzoate)

zinc bis(2-oxoniobenzoate) (PubChem CID 122130224) has the molecular formula C14H12O6Zn+2 and a molecular weight of 341.63 g/mol. Its IUPAC name is zinc bis(2-oxoniobenzoate).

Molecular Properties

Compound Namezinc bis(2-oxoniobenzoate)
PubChem CID122130224
Molecular FormulaC14H12O6Zn+2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Namezinc bis(2-oxoniobenzoate)
SMILESO=C([O-])c1ccccc1[OH2+].O=C([O-])c1ccccc1[OH2+].[Zn+2]
InChIInChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2
InChIKeyPZXFWBWBWODQCS-UHFFFAOYSA-N
XLogP-1.03
TPSA126.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-oxoniobenzoate)?
The IUPAC name of zinc bis(2-oxoniobenzoate) (CID 122130224) is zinc bis(2-oxoniobenzoate).
What is the SMILES notation for zinc bis(2-oxoniobenzoate)?
The canonical SMILES for zinc bis(2-oxoniobenzoate) is O=C([O-])c1ccccc1[OH2+].O=C([O-])c1ccccc1[OH2+].[Zn+2].
What is the InChIKey of zinc bis(2-oxoniobenzoate)?
The InChIKey is PZXFWBWBWODQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2.
What are the key properties of zinc bis(2-oxoniobenzoate)?
zinc bis(2-oxoniobenzoate) has a molecular weight of 341.63 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-oxoniobenzoate) is sourced from PubChem (CID 122130224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).