P-coumaraldehyde

P-coumaraldehyde bmse000611 - Data bmse010084 - Data

P_coumaraldehyde synonyms

2-propenal, 3-(4-hydroxyphenyl)-, (2E)-; p-Coumaraldehyde; 4-Hydroxycinnamyl aldehyde; COUMARALDEHYDE; (2E)-3-(4-hydroxyphenyl)acrylaldehyde

Wikipedia:

Graphical representations:

p_coumaraldehyde

View large 3D structure

Molecular Formula: C9H8O2

Natural Isotopic Abundance Mass: 148.15862

Mono-Isotopic Molecular Masses:

  • C12N14: 148.052429501
  • C13N14: 157.0826230412
  • C12N15: 148.052429501
  • C13N15: 157.0826230412

InChI string: InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+

PubChem Compound (CID): 641301
KEGG Compound ID: C05608
NMRShiftDB: 10024834
BioCyc: COUMARALDEHYDE
MMCD: cq_03147

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)