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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371297
CHEMBL1371297
Compound Name PHTHALIC ANHYDRIDE
ChEMBL Synonyms Isobenzofuran-1,3-Dione
Max Phase 0
Trade Names
Molecular Formula C8H4O3

Additional synonyms for CHEMBL1371297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1OC(=O)c2ccccc12
Standard InChI InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
Standard InChI Key LGRFSURHDFAFJT-UHFFFAOYSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL1371297. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1371297

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
148.1 148.016 1.3 0 43.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.19 1.19 1 11 0.41

Compound Cross References

ChemSpider ChemSpider:LGRFSURHDFAFJT-UHFFFAOYSA-N
PubChem SID: 144207340 SID: 17389755

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371297



ACToR 85-44-9 68411-80-3 39363-63-8
ChEBI 36605
eMolecules 479876
FDA SRS UVL263I5BJ
IBM Patent System A4751C545960F86307702F7AD36392D5
Mcule MCULE-5260748273
MolPort MolPort-000-006-132
Nikkaji J4.919K
NMRShiftDB 21071
PubChem 6811
PubChem: Thomson Pharma 15243070
SureChEMBL SCHEMBL220
ZINC ZINC08100883

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