dizinc;oxalate;hydrate

C4H2O9Zn2 — CID 175884048

IUPACdizinc;oxalate;hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C2H2O4.H2O.2Zn/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);1H2;;/q;;;2*+2/p-4
InChIKeyILDTWYZSLGVIST-UHFFFAOYSA-J
MW324.83 g/mol
LogP-7.86
Rot. Bonds

About dizinc;oxalate;hydrate

dizinc;oxalate;hydrate (PubChem CID 175884048) has the molecular formula C4H2O9Zn2 and a molecular weight of 324.83 g/mol. Its IUPAC name is dizinc;oxalate;hydrate.

Molecular Properties

Compound Namedizinc;oxalate;hydrate
PubChem CID175884048
Molecular FormulaC4H2O9Zn2
Molecular Weight324.83 g/mol
Exact Mass321.83
IUPAC Namedizinc;oxalate;hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C2H2O4.H2O.2Zn/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);1H2;;/q;;;2*+2/p-4
InChIKeyILDTWYZSLGVIST-UHFFFAOYSA-J
XLogP-7.86
TPSA192.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 5-7.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
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 dizinc;oxalate;hydrate?
The IUPAC name of dizinc;oxalate;hydrate (CID 175884048) is dizinc;oxalate;hydrate.
What is the SMILES notation for dizinc;oxalate;hydrate?
The canonical SMILES for dizinc;oxalate;hydrate is O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;oxalate;hydrate?
The InChIKey is ILDTWYZSLGVIST-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.H2O.2Zn/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);1H2;;/q;;;2*+2/p-4.
What are the key properties of dizinc;oxalate;hydrate?
dizinc;oxalate;hydrate has a molecular weight of 324.83 g/mol, XLogP of -7.86, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;oxalate;hydrate is sourced from PubChem (CID 175884048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).