4-[(3-Carboxyacryloyl)amino]-2-hydroxybenzoic acid

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Systematic / IUPAC Name: 4-{[(2E)-3-Carboxy-2-propenoyl]amino}-2-hydroxybenzoic acid

ID: Reference4552

Other Names: 4-{[(2E)-3-Carboxyprop-2-enoyl]amino}-2-hydroxybenzoic acid;
Benzoic acid, 4-{[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino}-2-hydroxy-

Formula: C11H9NO6

Spectral Data

4-[(3-Carboxyacryloyl)amino]-2-hydroxybenzoic 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 10:50:40 AM
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Identificators

InChI InChI=1S/C11H9NO6/c13-8-5-6(1-2-7(8)11(17)18)12-9(14)3-4-10(15)16/h1-5,13H,(H,12,14)(H,15,16)(H,17,18)/b4-3+
InChI Key ZTKZRWROSKMXNU-ONEGZZNKSA-N
Canonical SMILES C1=CC(=C(C=C1NC(=O)C=CC(=O)O)O)C(=O)O
CAS
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Other Names 4-{[(2E)-3-Carboxyprop-2-enoyl]amino}-2-hydroxybenzoic acid;
Benzoic acid, 4-{[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino}-2-hydroxy-

In Other Databases

ChemSpider 4742209
PubChem 5906666