ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213531
CHEMBL1213531
Compound Name METHACRYLIC ACID
ChEMBL Synonyms Methacrylic Acid
Max Phase 0
Trade Names
Molecular Formula C4H6O2

Additional synonyms for CHEMBL1213531 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)C(=O)O
Standard InChI InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
Standard InChI Key CERQOIWHTDAKMF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1213531

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
86.1 86.0368 0.65 1 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.58 - .57 -2.2 0 6 0.48

Structural Alerts

There are 5 structural alerts for CHEMBL1213531. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CERQOIWHTDAKMF-UHFFFAOYSA-N
PubChem SID: 144208024

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213531



ACToR 115708-68-4 79-41-4 463311-95-7
Brenda 106546 20372 104596
ChEBI 25219
ChemicalBook CB9240023
eMolecules 483750
EPA CompTox Dashboard DTXSID3025542
FDA SRS 1CS02G8656
IBM Patent System 4493DDCEA7788F5AE1585DDB1062CE9F 0BA88039E8C7B8C0F2AB9DDC2BCF7278 703A35C7A26C200B73DFB5F85229C208
Mcule MCULE-9899621926
MolPort MolPort-003-926-862
Nikkaji J3.843A
NMRShiftDB 10016782
PubChem 4093
PubChem: Thomson Pharma 15119647
SureChEMBL SCHEMBL4507
ZINC ZINC000001683524

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