4-methylsalicylic Acid
4_methylsalicylic_acid synonyms
4-Methylsalicylic acid; 2,4-Cresotic acid; 4-Methylsalicylate; 2-Hydroxy-4-methylbenzoic acid; m-Cresotic acid
Graphical representations:
View large 3D structure
Molecular Formula: C8H8O3
Natural Isotopic Abundance Mass: 152.14732
Mono-Isotopic Molecular Masses:
- C12N14: 152.0473441231
- C13N14: 160.0741828255
- C12N15: 152.0473441231
- C13N15: 160.0741828255
InChI string: InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
PubChem Compound (CID): 5788CAS Registry number: 50-85-1
Sigma-Aldrich: 244503_ALDRICH
KEGG Compound ID: C14103
NIAID: 018039
MMCD: cq_09947
MDL: MFCD00002454
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)