Want to comment
on this record?

(2E)-3-{4-Hydroxy-3-methoxy-5-[(²H₃)methyloxy]phenyl}acrylic acid

ChemSpider ID: 17267322
Molecular Formula: C₁₁H₉D₃O₅
Average mass: 227.2285 Da
Monoisotopic mass: 227.087311 Da
Systematic name

(2E)-3-{4-Hydroxy-3-methoxy-5-[(²H₃)methyloxy]phenyl}acrylic acid
SMILES and InChIs

SMILES:

[2H]C([2H])([2H])Oc1cc(cc(OC)c1O)\C=C\C(=O)O Copied

Std. InChI:

InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+/i1D3 Copied

Std. InChIKey:

PCMORTLOPMLEFB-VGIDZVCYSA-N Copied
Cite this record
CSID:17267322, http://www.chemspider.com/Chemical-Structure.17267322.html (accessed 06:23, May 18, 2013) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library