zinc;oxalate;hexahydrate

C2H12O10Zn — CID 175037581

IUPACzinc;oxalate;hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C2H2O4.6H2O.Zn/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);6*1H2;/q;;;;;;;+2/p-2
InChIKeyJUQJRKCHXKIQJH-UHFFFAOYSA-L
MW261.50 g/mol
LogP-8.46
Rot. Bonds

About zinc;oxalate;hexahydrate

zinc;oxalate;hexahydrate (PubChem CID 175037581) has the molecular formula C2H12O10Zn and a molecular weight of 261.50 g/mol. Its IUPAC name is zinc;oxalate;hexahydrate.

Molecular Properties

Compound Namezinc;oxalate;hexahydrate
PubChem CID175037581
Molecular FormulaC2H12O10Zn
Molecular Weight261.50 g/mol
Exact Mass259.97
IUPAC Namezinc;oxalate;hexahydrate
SMILESO.O.O.O.O.O.O=C([O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C2H2O4.6H2O.Zn/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);6*1H2;/q;;;;;;;+2/p-2
InChIKeyJUQJRKCHXKIQJH-UHFFFAOYSA-L
XLogP-8.46
TPSA269.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 5-8.46
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

dizinc;oxalate;hydrate
CID 175884048
zinc;oxalate;dihydrate
CID 516787
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
calcium;zinc;oxalate
CID 174638991
magnesium;oxalate;tetrahydrate
CID 171477139

Frequently Asked Questions

What is the IUPAC name of zinc;oxalate;hexahydrate?
The IUPAC name of zinc;oxalate;hexahydrate (CID 175037581) is zinc;oxalate;hexahydrate.
What is the SMILES notation for zinc;oxalate;hexahydrate?
The canonical SMILES for zinc;oxalate;hexahydrate is O.O.O.O.O.O.O=C([O-])C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;oxalate;hexahydrate?
The InChIKey is JUQJRKCHXKIQJH-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.6H2O.Zn/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);6*1H2;/q;;;;;;;+2/p-2.
What are the key properties of zinc;oxalate;hexahydrate?
zinc;oxalate;hexahydrate has a molecular weight of 261.50 g/mol, XLogP of -8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;oxalate;hexahydrate is sourced from PubChem (CID 175037581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).