Sesamol

Sesamol bmse001267 - Data

Sesamol synonyms

Wikipedia:

Graphical representations:

Sesamol

View large 3D structure

Molecular Formula: C7H6O3

Natural Isotopic Abundance Mass: 138.12074

Mono-Isotopic Molecular Masses:

  • C12N14: 138.031694052
  • C13N14: 145.055177918
  • C12N15: 138.031694052
  • C13N15: 145.055177918

InChI string: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

IUPAC: 1,3-Benzodioxol-5-ol

BMRB Ligand Expo: BZX
PubChem Compound (CID): 68289
NSC:

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)