zinc;oxalate;dihydrate

C2H4O6Zn — CID 516787

IUPACzinc;oxalate;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C2H2O4.2H2O.Zn/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H2;/q;;;+2/p-2
InChIKeyWCKIDCVWRJUPFY-UHFFFAOYSA-L
MW189.44 g/mol
LogP-5.17
Rot. Bonds

About zinc;oxalate;dihydrate

zinc;oxalate;dihydrate (PubChem CID 516787) has the molecular formula C2H4O6Zn and a molecular weight of 189.44 g/mol. Its IUPAC name is zinc;oxalate;dihydrate.

Molecular Properties

Compound Namezinc;oxalate;dihydrate
PubChem CID516787
Molecular FormulaC2H4O6Zn
Molecular Weight189.44 g/mol
Exact Mass187.93
IUPAC Namezinc;oxalate;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C2H2O4.2H2O.Zn/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H2;/q;;;+2/p-2
InChIKeyWCKIDCVWRJUPFY-UHFFFAOYSA-L
XLogP-5.17
TPSA143.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.44
LogP ≤ 5-5.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;oxalate;hexahydrate
CID 175037581
dizinc;oxalate;hydrate
CID 175884048
dipotassium;zinc;oxalate
CID 173075091
manganese(2+);oxalate;tetrahydrate
CID 175494327
lanthanum;oxalate;nonahydrate
CID 172983604
oxalate;bis(yttrium(3+));hydrate
CID 516803
iron(3+);oxalate;hydrate
CID 172796672
oxalate;bis(terbium(3+));hydrate
CID 57351143
potassium;iron(3+);oxalate;trihydrate
CID 102601672
bis(cerium(3+));oxalate;decahydrate
CID 71586987
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024

Frequently Asked Questions

What is the IUPAC name of zinc;oxalate;dihydrate?
The IUPAC name of zinc;oxalate;dihydrate (CID 516787) is zinc;oxalate;dihydrate.
What is the SMILES notation for zinc;oxalate;dihydrate?
The canonical SMILES for zinc;oxalate;dihydrate is O.O.O=C([O-])C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;oxalate;dihydrate?
The InChIKey is WCKIDCVWRJUPFY-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.2H2O.Zn/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H2;/q;;;+2/p-2.
What are the key properties of zinc;oxalate;dihydrate?
zinc;oxalate;dihydrate has a molecular weight of 189.44 g/mol, XLogP of -5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;oxalate;dihydrate is sourced from PubChem (CID 516787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).