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
Graphical representations:
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: 13809PubChem 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)