Guaiacol

Guaiacol synonyms

o-methoxyphenol; Pyrocatechol monomethyl ether; Guaiacol (JAN); Phenol, o-methoxy-; Catechol monomethyl ether; phenol, 2-methoxy-; Creodon; 2-Methoxyphenol; 1-Hydroxy-2-methoxybenzene; guaiacol; 2-Hydroxyanisole

Wikipedia:

Graphical representations:

Guaiacol

View large 3D structure

Molecular Formula: C7H8O2

Natural Isotopic Abundance Mass: 124.13722

Mono-Isotopic Molecular Masses:

  • C12N14: 124.052429501
  • C13N14: 131.0759133656
  • C12N15: 124.052429501
  • C13N15: 131.0759133656

InChI string: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

EPA DSSTox: 13809
PubChem Compound (CID): 460
CAS Registry number: 26638-03-9 90-05-1
Sigma-Aldrich: G5502_SIGMA
ChEBI: CHEBI:28591
BioCyc: CPD-400
ChemIDplus: 026638039
ChemSpider: 11337764
NMRShiftDB: 20035577
CambridgeSoft Corporation: 4181
ZINC: ZINC00001521
KEGG Compound ID: D00117
ChemDB: 3966822
NCGC: NCGC00090827-02
NIST Chemistry WebBook: 198950809
PDB Compound ID: JZ3

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)