AKR

ACRYLIC ACID

Created: 2000-11-28
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count9
Chiral Atom Count0
Bond Count8
Aromatic Bond Count0
2D diagram of AKR
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Chemical Component Summary

NameACRYLIC ACID
Systematic Name (OpenEye OEToolkits)prop-2-enoic acid
FormulaC3 H4 O2
Molecular Weight72.063
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)\C=C
SMILESCACTVS3.341OC(=O)C=C
SMILESOpenEye OEToolkits1.5.0C=CC(=O)O
Canonical SMILESCACTVS3.341 OC(=O)C=C
Canonical SMILESOpenEye OEToolkits1.5.0 C=CC(=O)O
InChIInChI1.03 InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChIKeyInChI1.03 NIXOWILDQLNWCW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02579 
NameAcrylic Acid
Groups experimental
DescriptionA α,β-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.
Synonyms
  • Acrylic Acid
  • Vinylformic acid
  • Propenoic acid
  • Zinc diacrylate
  • ethylenecarboxylic acid
Categories
  • Acids, Acyclic
  • Compounds used in a research, industrial, or household setting
  • Equipment and Supplies
  • Surgical Equipment
  • Surgical Fixation Devices
CAS number79-10-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamase SHV-1MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6581, 19966351
ChEMBL CHEMBL1213529
ChEBI CHEBI:18308
CCDC/CSD ACRLAC02, ACRLAC04, ROBFAS, ZOGCOP, ACRLAC03, FILYOQ, XAQZAR
COD 2008185, 7206295, 7206294