zinc bis(2-carboxyphenolate)

C14H10O6Zn — CID 54693468

IUPACzinc bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[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/p-2
InChIKeyPZXFWBWBWODQCS-UHFFFAOYSA-L
MW339.62 g/mol
LogP0.91
Rot. Bonds2

About zinc bis(2-carboxyphenolate)

zinc bis(2-carboxyphenolate) (PubChem CID 54693468) has the molecular formula C14H10O6Zn and a molecular weight of 339.62 g/mol. Its IUPAC name is zinc bis(2-carboxyphenolate).

Molecular Properties

Compound Namezinc bis(2-carboxyphenolate)
PubChem CID54693468
Molecular FormulaC14H10O6Zn
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Namezinc bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[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/p-2
InChIKeyPZXFWBWBWODQCS-UHFFFAOYSA-L
XLogP0.91
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 zinc bis(2-carboxyphenolate)?
The IUPAC name of zinc bis(2-carboxyphenolate) (CID 54693468) is zinc bis(2-carboxyphenolate).
What is the SMILES notation for zinc bis(2-carboxyphenolate)?
The canonical SMILES for zinc bis(2-carboxyphenolate) is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Zn+2].
What is the InChIKey of zinc bis(2-carboxyphenolate)?
The InChIKey is PZXFWBWBWODQCS-UHFFFAOYSA-L. 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/p-2.
What are the key properties of zinc bis(2-carboxyphenolate)?
zinc bis(2-carboxyphenolate) has a molecular weight of 339.62 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-carboxyphenolate) is sourced from PubChem (CID 54693468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).