4-Toluic acid

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Systematic / IUPAC Name: 4-Methylbenzoic acid

ID: Reference1497

Other Names: Benzoic acid, 4-methyl-;
p-Methylbenzoic acid;
p-Carboxytoluene;
Toluenecarboxylic acid;
p-Toluic acid ; more

Formula: C8H8O2

Class: Endogenous Metabolites Industrial Chemicals

Spectral Data

4-Toluic 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 44
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/20/2014 3:52:01 PM
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Identificators

InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key LPNBBFKOUUSUDB-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)O
CAS 99945
Splash
Other Names Benzoic acid, 4-methyl-;
p-Methylbenzoic acid;
p-Carboxytoluene;
Toluenecarboxylic acid;
p-Toluic acid;
4-Toluic acid;
Crithminic acid;
p-Toluylic acid

In Other Databases

ChemSpider 7190
KEGG C01454
ChEBI CHEBI:36635
ChEMBL CHEMBL21708
ChemIDPlus 000099945; 002420975; 023292935; 005118310; 017264549; 054874203
Wikipedia P-Toluic acid
PubChem 7470
HMDb HMDB29635