3-methylsalicylic Acid

3-methylsalicylic Acid bmse000620 - Data

3_methylsalicylic_acid synonyms

3-Methylsalicylate; o-Cresotic acid; 3-Methylsalicylic acid; 2-Hydroxy-3-methylbenzoic acid

Wikipedia:

Graphical representations:

3_methylsalicylic_acid

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/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)

PubChem Compound (CID): 6738
CAS Registry number: 45848-87-1
Sigma-Aldrich: 167037_ALDRICH
KEGG Compound ID: C14088
NCGC: NCGC00095792-02
MMCD: cq_09932
MDL: MFCD00002448

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)