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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146755
CHEMBL146755
Compound Name OXALIC ACID
ChEMBL Synonyms Oxalic Acid | Oxalic Acid Dianion
Max Phase 0
Trade Names
Molecular Formula C2H2O4

Additional synonyms for CHEMBL146755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)O
Standard InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Standard InChI Key MUBZPKHOEPUJKR-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL146755. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL146755

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
90 89.9953 -0.43 1 74.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.38 - -1.08 -5.82 0 6 0.43

Compound Cross References

ChemSpider ChemSpider:MUBZPKHOEPUJKR-UHFFFAOYSA-N
PubChem SID: 144209320 SID: 144213663
Wikipedia Oxalic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146755



ACToR 144-62-7
BindingDB 14674
ChEBI 16995
DrugBank DB03902
eMolecules 475940
EPA CompTox Dashboard DTXSID0025816
FDA SRS 9E7R5L6H31
Human Metabolome Database HMDB02329
IBM Patent System 1CB3B92F079BA2980696AB8328BB6340
KEGG Ligand C00209
Mcule MCULE-6647815245
MolPort MolPort-001-779-798
Nikkaji J2.954H
NMRShiftDB 10016797
PDBe OXD
PubChem 18676629 971 3819775
PubChem: Thomson Pharma 15461790
SureChEMBL SCHEMBL776

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MUBZPKHOEPUJKR-UHFFFAOYSA-N spacer
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