4-methylcatechol

4-methylcatechol bmse000475 - Data

4-methylcatechol synonyms

Homopyrocatechol; 1,2-benzenediol, 4-methyl-; 3,4-Dihydroxytoluene; 4-Methyl-1,2-dihydroxybenzene; 1,2-Dihydroxy-4-methylbenzene; p-Methylpyrocatechol; Homocatechol; MCT; 4-methylbenzene-1,2-diol; 1,2-Benzenediol, 4-methyl-; p-Methylcatechol

Wikipedia:

Graphical representations:

4-methylcatechol

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

PubChem Compound (CID): 9958
CAS Registry number: 452-86-8
Sigma-Aldrich: M34200_ALDRICH
ChEBI: CHEBI:17254
EPA DSSTox: 30572
ZINC: ZINC00002500
ChemSpider: 13200746
MMDB: 13418.5
KEGG Compound ID: C06730
NMRShiftDB: 20035579
DTP/NCI: 17489
NIST Chemistry WebBook: 4288127276
NIST: 4288127276
MMCD: cq_03883
MDL: MFCD00002205
PDB Compound ID: MCT

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)