Coniferaldehyde

Coniferaldehyde bmse000601 - Data bmse010076 - Data

Coniferaldehyde synonyms

Ferulaldehyde; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (E)-; 4-Hydroxy-3-methoxycinnamaldehyde; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; Coniferyl aldehyde; Coniferaldehyde

Wikipedia:

Graphical representations:

coniferaldehyde

View large 3D structure

Molecular Formula: C10H10O3

Natural Isotopic Abundance Mass: 178.1846

Mono-Isotopic Molecular Masses:

  • C12N14: 178.0629941873
  • C13N14: 188.0965425653
  • C12N15: 178.0629941873
  • C13N15: 188.0965425653

InChI string: InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+

PubChem Compound (CID): 5280536
CAS Registry number: 458-36-6
ChEBI: CHEBI:16547
ChemSpider: 4444167
NMRShiftDB: 20040739
KEGG Compound ID: C02666
NIST Chemistry WebBook: 469449989
MMCD: cq_01629

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)