3-Methylsalicylaldehyde

3-Methylsalicylaldehyde bmse000843 - Data

3_methylsalicylaldehyde synonyms

2-Hydroxy-3-methylbenzaldehyde; 2,3-Cresotaldehyde; 3-methyl-2-hydroxybenzaldehyde; 2-hydroxy-3-methylbenzaldehyde; 3-methylsalicylic aldehyde

Wikipedia:

Graphical representations:

3_methylsalicylaldehyde

View large 3D structure

Molecular Formula: C8H8O2

Natural Isotopic Abundance Mass: 136.14792

Mono-Isotopic Molecular Masses:

  • C12N14: 136.052429501
  • C13N14: 144.0792682034
  • C12N15: 136.052429501
  • C13N15: 144.0792682034

InChI string: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3

PubChem Compound (CID): 522777
CAS Registry number: 824-42-0
MMCD: cq_09931
Beilstein Registry Number: 1099377
MDL number: MFCD00040798
CAS Registry number: 824-42-0
Sigma-Aldrich: 444553_ALDRICH
ChEBI: CHEBI:20110
ZINC: ZINC02390003
UM-BBD: c0718
KEGG Compound ID: C14087
NMRShiftDB: 20039698

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)