lithium;hydron;oxalate

C2HLiO4 — CID 22141737

IUPAClithium;hydron;oxalate
SMILESO=C([O-])C(=O)[O-].[H+].[Li+]
InChIInChI=1S/C2H2O4.Li/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
InChIKeyDXUUIDJNCBRHDV-UHFFFAOYSA-M
MW95.97 g/mol
LogP-6.40
Rot. Bonds

About lithium;hydron;oxalate

lithium;hydron;oxalate (PubChem CID 22141737) has the molecular formula C2HLiO4 and a molecular weight of 95.97 g/mol. Its IUPAC name is lithium;hydron;oxalate.

Molecular Properties

Compound Namelithium;hydron;oxalate
PubChem CID22141737
Molecular FormulaC2HLiO4
Molecular Weight95.97 g/mol
Exact Mass96.00
IUPAC Namelithium;hydron;oxalate
SMILESO=C([O-])C(=O)[O-].[H+].[Li+]
InChIInChI=1S/C2H2O4.Li/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
InChIKeyDXUUIDJNCBRHDV-UHFFFAOYSA-M
XLogP-6.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.97
LogP ≤ 5-6.40
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

hydron;oxalate;rubidium(1+)
CID 18408012
dilithium;oxalate;titanium(4+)
CID 173348725
barium(2+);hydron;oxalate
CID 173256808
hydron;niobium(5+);oxalate
CID 173431799
tetralithium;methane;oxalate
CID 174903664
iron(3+);oxalate
CID 165359506
oxalate;silicon(4+)
CID 19840044
diazanium;oxalate
CID 14213
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
oxalate;platinum(2+)
CID 22066175

Frequently Asked Questions

What is the IUPAC name of lithium;hydron;oxalate?
The IUPAC name of lithium;hydron;oxalate (CID 22141737) is lithium;hydron;oxalate.
What is the SMILES notation for lithium;hydron;oxalate?
The canonical SMILES for lithium;hydron;oxalate is O=C([O-])C(=O)[O-].[H+].[Li+].
What is the InChIKey of lithium;hydron;oxalate?
The InChIKey is DXUUIDJNCBRHDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O4.Li/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1.
What are the key properties of lithium;hydron;oxalate?
lithium;hydron;oxalate has a molecular weight of 95.97 g/mol, XLogP of -6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydron;oxalate is sourced from PubChem (CID 22141737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).