oxalic acid;zinc;hydrate

C2H4O5Zn — CID 71311498

IUPACoxalic acid;zinc;hydrate
SMILESO.O=C(O)C(=O)O.[Zn]
InChIInChI=1S/C2H2O4.H2O.Zn/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H2;
InChIKeyCFFMCBNXKDUENE-UHFFFAOYSA-N
MW173.44 g/mol
LogP-1.67
Rot. Bonds

About oxalic acid;zinc;hydrate

oxalic acid;zinc;hydrate (PubChem CID 71311498) has the molecular formula C2H4O5Zn and a molecular weight of 173.44 g/mol. Its IUPAC name is oxalic acid;zinc;hydrate.

Molecular Properties

Compound Nameoxalic acid;zinc;hydrate
PubChem CID71311498
Molecular FormulaC2H4O5Zn
Molecular Weight173.44 g/mol
Exact Mass171.94
IUPAC Nameoxalic acid;zinc;hydrate
SMILESO.O=C(O)C(=O)O.[Zn]
InChIInChI=1S/C2H2O4.H2O.Zn/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H2;
InChIKeyCFFMCBNXKDUENE-UHFFFAOYSA-N
XLogP-1.67
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.44
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;zinc;hydrate?
The IUPAC name of oxalic acid;zinc;hydrate (CID 71311498) is oxalic acid;zinc;hydrate.
What is the SMILES notation for oxalic acid;zinc;hydrate?
The canonical SMILES for oxalic acid;zinc;hydrate is O.O=C(O)C(=O)O.[Zn].
What is the InChIKey of oxalic acid;zinc;hydrate?
The InChIKey is CFFMCBNXKDUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.H2O.Zn/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H2;.
What are the key properties of oxalic acid;zinc;hydrate?
oxalic acid;zinc;hydrate has a molecular weight of 173.44 g/mol, XLogP of -1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;zinc;hydrate is sourced from PubChem (CID 71311498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).