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637-44-5 | 3-Phenylpropiolic acid
CAS No: 637-44-5 Catalog No: AG003TQ2 MDL No:MFCD00004361
Product Description
Catalog Number:
AG003TQ2
Chemical Name:
3-Phenylpropiolic acid
CAS Number:
637-44-5
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
MDL Number:
MFCD00004361
IUPAC Name:
3-phenylprop-2-ynoic acid
InChI:
InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChI Key:
XNERWVPQCYSMLC-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccccc1
EC Number:
211-285-8
NSC Number:
13669
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Pd-catalyzed C-3 functionalization of indolizines via C-H bond cleavage. | Organic & biomolecular chemistry 20120921 |
| Time domain para hydrogen induced polarization. | Solid state nuclear magnetic resonance 20120101 |
| Syntheses of α-pyrones using gold-catalyzed coupling reactions. | Organic letters 20110603 |
| Cross-talk interactions of sucrose and Fusarium oxysporum in the phenylpropanoid pathway and the accumulation and localization of flavonoids in embryo axes of yellow lupine. | Journal of plant physiology 20110315 |
| [Allelopathy of grape root aqueous extracts]. | Ying yong sheng tai xue bao = The journal of applied ecology 20100701 |
| Palladium-catalyzed decarboxylative coupling of alkynyl carboxylic acids and aryl halides. | The Journal of organic chemistry 20090206 |
| Anatomy of a simple acyl intermediate in enzyme catalysis: combined biophysical and modeling studies on ornithine acetyl transferase. | Journal of the American Chemical Society 20090121 |
| Reaction of thioketones with propiolic acids. | Organic & biomolecular chemistry 20060721 |
| para-Hydrogenation of unsaturated moieties on poly(lysine) derived substrates for the development of novel hyperpolarized MRI contrast agents. | Organic & biomolecular chemistry 20051107 |
| Lipophilic organic contaminants in the Rhine river, Germany. | Water research 20051101 |
| Suppression subtractive hybridization-mediated transcriptome analysis from multiple tissues of aspen (Populus tremuloides) altered in phenylpropanoid metabolism. | Planta 20040801 |
| Phenylpropanoids, phenylalanine ammonia lyase and peroxidases in elicitor-challenged cassava (Manihot esculenta) suspension cells and leaves. | Annals of botany 20040701 |
| Metabolic reprogramming in plant innate immunity: the contributions of phenylpropanoid and oxylipin pathways. | Immunological reviews 20040401 |
| Probing the 2,4-dichlorophenoxyacetate/alpha-ketoglutarate dioxygenase substrate-binding site by site-directed mutagenesis and mechanism-based inactivation. | Biochemistry 20020806 |
| Carbon isotope fractionation in the decarboxylation of phenylpropiolic acid in hydrogen donating media. | Isotopes in environmental and health studies 20010101 |
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