zinc furan-2-carboxylic acid

C5H4O3Zn+2 — CID 25022579

IUPACzinc furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.[Zn+2]
InChIInChI=1S/C5H4O3.Zn/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+2
InChIKeyMHAGZNYZSQMDFY-UHFFFAOYSA-N
MW177.47 g/mol
LogP0.98
Rot. Bonds1

About zinc furan-2-carboxylic acid

zinc furan-2-carboxylic acid (PubChem CID 25022579) has the molecular formula C5H4O3Zn+2 and a molecular weight of 177.47 g/mol. Its IUPAC name is zinc furan-2-carboxylic acid.

Molecular Properties

Compound Namezinc furan-2-carboxylic acid
PubChem CID25022579
Molecular FormulaC5H4O3Zn+2
Molecular Weight177.47 g/mol
Exact Mass175.94
IUPAC Namezinc furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.[Zn+2]
InChIInChI=1S/C5H4O3.Zn/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+2
InChIKeyMHAGZNYZSQMDFY-UHFFFAOYSA-N
XLogP0.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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furan-2-carboxylic acid;hexane
CID 157215891
CID 11810844
CID 11810844
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Frequently Asked Questions

What is the IUPAC name of zinc furan-2-carboxylic acid?
The IUPAC name of zinc furan-2-carboxylic acid (CID 25022579) is zinc furan-2-carboxylic acid.
What is the SMILES notation for zinc furan-2-carboxylic acid?
The canonical SMILES for zinc furan-2-carboxylic acid is O=C(O)c1ccco1.[Zn+2].
What is the InChIKey of zinc furan-2-carboxylic acid?
The InChIKey is MHAGZNYZSQMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3.Zn/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+2.
What are the key properties of zinc furan-2-carboxylic acid?
zinc furan-2-carboxylic acid has a molecular weight of 177.47 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc furan-2-carboxylic acid is sourced from PubChem (CID 25022579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).