3-Anisic acid

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Systematic / IUPAC Name: 3-Methoxybenzoic acid

ID: Reference3092

Other Names: m-Anisic acid;
3-Carboxyanisole;
m-Methoxybenzoic acid;
m-Methylsalicylic acid;
3-Methoxy-benzoic acid

Formula: C8H8O3

Class: Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

3-Anisic 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 74
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 10/9/2015 7:41:03 AM
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Identificators

InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key XHQZJYCNDZAGLW-UHFFFAOYSA-N
Canonical SMILES COC1=CC=CC(=C1)C(=O)O
CAS 586389
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Other Names m-Anisic acid;
3-Carboxyanisole;
m-Methoxybenzoic acid;
m-Methylsalicylic acid;
3-Methoxy-benzoic acid;
Benzoic acid, 3-methoxy-

In Other Databases

Wikipedia Anisic acid
HMDb HMDB32606
ChEMBL CHEMBL22425
PubChem 11461
ChemSpider 10977
ChemIDPlus 000586389