2-Cyano-3-(4-hydroxyphenyl)propanoic Acid - CAS 90924-41-7
Catalog: |
BB039993 |
Product Name: |
2-Cyano-3-(4-hydroxyphenyl)propanoic Acid |
CAS: |
90924-41-7 |
Synonyms: |
2-cyano-3-(4-hydroxyphenyl)propanoic acid; 2-cyano-3-(4-hydroxyphenyl)propanoic acid |
IUPAC Name: | 2-cyano-3-(4-hydroxyphenyl)propanoic acid |
Description: | 2-Cyano-3-(4-hydroxyphenyl)propanoic Acid (CAS# 90924-41-7) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | C1=CC(=CC=C1CC(C#N)C(=O)O)O |
InChI: | InChI=1S/C10H9NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5H2,(H,13,14) |
InChI Key: | LGFZBEPKZGLLAC-UHFFFAOYSA-N |
LogP: | 1.15908 |
Publication Number | Title | Priority Date |
EP-2734514-A1 | New use for a compound as a matrix in the specific detection, identification and/or quantification of alkaloids by maldi-tof mass spectrometry | 20110718 |
EP-2734514-B1 | Use of a thiophene compound as a matrix in the specific detection, identification and/or quantification of alkaloids by maldi-tof mass spectrometry | 20110718 |
FR-2978150-A1 | NOVEL USE OF A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND / OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY | 20110718 |
US-2014319331-A1 | New use for a compound as a matrix in the specific detection, identification and/or quantification of alkaloids by maldi-tof mass spectrometry | 20110718 |
WO-2013011234-A1 | New use for a compound as a matrix in the specific detection, identification and/or quantification of alkaloids by maldi-tof mass spectrometry | 20110718 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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