Sinapaldehyde

Sinapaldehyde bmse000606 - Data bmse010085 - Data

Sinapaldehyde synonyms

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; sinapyl aldehyde; Sinapoyl aldehyde; Sinapaldehyde; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal

Wikipedia:

Graphical representations:

sinapaldehyde

View large 3D structure

Molecular Formula: C11H12O4

Natural Isotopic Abundance Mass: 208.21058

Mono-Isotopic Molecular Masses:

  • C12N14: 208.0735588736
  • C13N14: 219.1104620894
  • C12N15: 208.0735588736
  • C13N15: 219.1104620894

InChI string: InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+

PubChem Compound (CID): 5280802
CAS Registry number: 4206-58-0
ChEBI: CHEBI:27949
ChemSpider: 4444359
KEGG Compound ID: C05610
NIST Chemistry WebBook: 647569892
MMCD: cq_03148

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)