Coumalic acid - CAS 500-05-0
Catalog: |
BB026886 |
Product Name: |
Coumalic acid |
CAS: |
500-05-0 |
Synonyms: |
2-Oxo-2H-pyran-5-carboxylic acid |
IUPAC Name: | 6-oxopyran-3-carboxylic acid |
Description: | Coumalic acid (CAS# 500-05-0) is a compound hypothesized to be a potential syncatalytic inhibitor for prolyl 4-hydroxylase (chick embryo). Coumalic acid is also a known phytotoxin and has exhibited highly toxic side effects when rats and mice were exposed to it. |
Molecular Weight: | 140.09 |
Molecular Formula: | C6H4O4 |
Canonical SMILES: | C1=CC(=O)OC=C1C(=O)O |
InChI: | InChI=1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9) |
InChI Key: | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
Boiling Point: | 218 °C (120 mmHg) |
Purity: | > 95 % |
Density: | 1.542 g/cm3 |
Appearance: | Bright yellow solid |
MDL: | MFCD00006644 |
LogP: | 0.33800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113317312-A | Diluent preparation capable of prolonging normal-temperature survival period of boar semen | 20210601 |
WO-2021140958-A1 | Imaging element, manufacturing method, and electronic device | 20200110 |
WO-2021136977-A1 | A process for producing trimellitic acid from biomass | 20200103 |
US-2021187938-A1 | Inkjet recording method and inkjet recording apparatus | 20191223 |
EP-3771712-A1 | Method for making heterocycles containing nitrogen | 20190730 |
PMID | Publication Date | Title | Journal |
21942744 | 20120301 | The inhibiting activity of areca inflorescence extracts on human low density lipoprotein oxidation induced by cupric ion | International journal of food sciences and nutrition |
22066860 | 20111130 | Total synthesis and structural revision of the piperarborenines via sequential cyclobutane C-H arylation | Journal of the American Chemical Society |
17149871 | 20061214 | Aminodeoxychorismate synthase inhibitors from one-bead one-compound combinatorial libraries: 'staged' inhibitor design | Journal of medicinal chemistry |
12619690 | 20030101 | Stimulation by caffeic acid, coumalic acid, and corilagin of the germination of resting spores of the clubroot pathogen Plasmodiophora brassicae | Bioscience, biotechnology, and biochemistry |
11522351 | 20010903 | Characterization and expression of enzymatically active recombinant filarial prolyl 4-hydroxylase | Molecular and biochemical parasitology |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0109586 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0109586 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Arenes
Pyrans
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS