α-Cyano-3-hydroxycinnamic acid

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Systematic / IUPAC Name: (2E)-2-Cyano-3-(3-hydroxyphenyl)acrylic acid

ID: Reference1757

Other Names: 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-;
(2E)-2-Cyano-3-(3-hydroxyphenyl)prop-2-enoic acid

Formula: C10H7NO3

Spectral Data

α-Cyano-3-hydroxycinnamic 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 67
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:27:45 PM
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Identificators

InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)/b8-4+
InChI Key HPLNTJVXWMJLNJ-XBXARRHUSA-N
Canonical SMILES C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O
CAS 54673073
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Other Names 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-;
(2E)-2-Cyano-3-(3-hydroxyphenyl)prop-2-enoic acid

In Other Databases

ChemSpider 4510073
ChEMBL CHEMBL1496361
PubChem 5353398