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O-toluic Acid
O_toluic_acid synonyms
o-Methylbenzoate; o-Toluate; 2-methylbenzoic acid; Orthotoluic acid; Benzoic acid, methyl-; 2-Methylbenzoic acid; o-Toluylic acid; Toluic acid; Benzoic acid, 2-methyl-; TOLUIC ACID; o-Toluic Acid
Graphical representations:
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/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
PubChem Compound (CID): 8373CAS Registry number: 118-90-1 25567-10-6
Sigma-Aldrich: T36404_ALDRICH
ChEBI: CHEBI:36632
ChemIDplus: 025567106
ChemSpider: 14859422
EINECS: 247-107-0
NIAID: 018011
DTP/NCI: 2193
EPA DSSTox: 33830
KEGG Compound ID: C07215
ChemDB: 6421087
NCGC: NCGC00090891-01
NIST Chemistry WebBook: 2331213621
MMCD: cq_04251
MDL: MFCD00002477
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)