Phenylpyruvic acid - CAS 156-06-9
Catalog: |
BB011196 |
Product Name: |
Phenylpyruvic acid |
CAS: |
156-06-9 |
Synonyms: |
2-oxo-3-phenylpropanoic acid |
IUPAC Name: | 2-oxo-3-phenylpropanoic acid |
Description: | Phenylpyruvic acid (CAS# 156-06-9) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)C(=O)O |
InChI: | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
InChI Key: | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
Boiling Point: | 299.1 °C at 760 mmHg |
Melting Point: | 154 °C |
Density: | 1.257 g/cm3 |
Solubility: | 112 mg/mL |
Appearance: | Pale yellow or white crystalline powder |
MDL: | MFCD00002589 |
LogP: | 0.88280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
EP-3835432-A1 | Interleukin-4-induced gene 1 (il4i1) and respective metabolites as biomarkers for cancer | 20191210 |
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US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
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PMID | Publication Date | Title | Journal |
25242482 | 20141001 | Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents | Nature chemistry |
24709313 | 20140528 | Metabolomic analysis of biochemical changes in the plasma and urine of collagen-induced arthritis in rats after treatment with Huang-Lian-Jie-Du-Tang | Journal of ethnopharmacology |
22981274 | 20130201 | Benzoic acid and specific 2-oxo acids activate hepatic efflux of glutamate at OAT2 | Biochimica et biophysica acta |
22980801 | 20121215 | Characterisation of volatile and non-volatile metabolites in etiolated leaves of tea (Camellia sinensis) plants in the dark | Food chemistry |
22494897 | 20121012 | L-Phenylalanine catabolism and L-phenyllactic acid production by a phototrophic bacterium, Rubrivivax benzoatilyticus JA2 | Microbiological research |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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