niobium(2+);oxalate;hydrate

C2H2NbO5 — CID 174517639

IUPACniobium(2+);oxalate;hydrate
SMILESO.O=C([O-])C(=O)[O-].[Nb+2]
InChIInChI=1S/C2H2O4.Nb.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
InChIKeyKHIPDRRWFDADGL-UHFFFAOYSA-L
MW198.94 g/mol
LogP-4.34
Rot. Bonds

About niobium(2+);oxalate;hydrate

niobium(2+);oxalate;hydrate (PubChem CID 174517639) has the molecular formula C2H2NbO5 and a molecular weight of 198.94 g/mol. Its IUPAC name is niobium(2+);oxalate;hydrate.

Molecular Properties

Compound Nameniobium(2+);oxalate;hydrate
PubChem CID174517639
Molecular FormulaC2H2NbO5
Molecular Weight198.94 g/mol
Exact Mass198.90
IUPAC Nameniobium(2+);oxalate;hydrate
SMILESO.O=C([O-])C(=O)[O-].[Nb+2]
InChIInChI=1S/C2H2O4.Nb.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
InChIKeyKHIPDRRWFDADGL-UHFFFAOYSA-L
XLogP-4.34
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.94
LogP ≤ 5-4.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lanthanum;oxalate;nonahydrate
CID 172983604
oxalate;bis(yttrium(3+));hydrate
CID 516803
zinc;oxalate;hexahydrate
CID 175037581
oxalate;bis(terbium(3+));hydrate
CID 57351143
iron(3+);oxalate;hydrate
CID 172796672
potassium;iron(3+);oxalate;trihydrate
CID 102601672
bis(cerium(3+));oxalate;decahydrate
CID 71586987
dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
CID 175494327
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024
dibismuth;oxalate;heptahydrate
CID 172687404

Frequently Asked Questions

What is the IUPAC name of niobium(2+);oxalate;hydrate?
The IUPAC name of niobium(2+);oxalate;hydrate (CID 174517639) is niobium(2+);oxalate;hydrate.
What is the SMILES notation for niobium(2+);oxalate;hydrate?
The canonical SMILES for niobium(2+);oxalate;hydrate is O.O=C([O-])C(=O)[O-].[Nb+2].
What is the InChIKey of niobium(2+);oxalate;hydrate?
The InChIKey is KHIPDRRWFDADGL-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.Nb.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2.
What are the key properties of niobium(2+);oxalate;hydrate?
niobium(2+);oxalate;hydrate has a molecular weight of 198.94 g/mol, XLogP of -4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for niobium(2+);oxalate;hydrate is sourced from PubChem (CID 174517639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).