2-Methylbenzoic acid

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Systematic / IUPAC Name: 2-Methylbenzoic acid

ID: Reference1351

Other Names: o-Methylbenzoic acid;
Benzoic acid, methyl-;
Toluic acid;
Orthotoluic acid;
o-Toluylic acid

Formula: C8H8O2

Class: Industrial Chemicals

Spectral Data

2-Methylbenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 220
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/4/2014 9:03:58 AM
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Identificators

InChI InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Canonical SMILES CC1=CC=CC=C1C(=O)O
CAS 118901
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Other Names o-Methylbenzoic acid;
Benzoic acid, methyl-;
Toluic acid;
Orthotoluic acid;
o-Toluylic acid;
2-Toluic acid

In Other Databases

HMDb HMDB02340
ChEBI CHEBI:36632
ChemSpider 8070
Wikipedia O-Toluic acid
ChemIDPlus 000118901; 025567106; 052337776; 052337787; 027476273; 042978778
PubChem 8373
KEGG C07215
ChEMBL CHEMBL114957