5-Hydroxy-2-methyl-4H-pyran-4-one - CAS 644-46-2
Catalog: |
BB032473 |
Product Name: |
5-Hydroxy-2-methyl-4H-pyran-4-one |
CAS: |
644-46-2 |
Synonyms: |
5-hydroxy-2-methylpyran-4-one |
IUPAC Name: | 5-hydroxy-2-methylpyran-4-one |
Description: | The esters of 5-hydroxy-2-methyl-4H-pyran-4-one are used as novel tyrosinase inhibitors for skin-lightening cosmetic compositions. |
Molecular Weight: | 126.11 |
Molecular Formula: | C6H6O3 |
Canonical SMILES: | CC1=CC(=O)C(=CO1)O |
InChI: | InChI=1S/C6H6O3/c1-4-2-5(7)6(8)3-9-4/h2-3,8H,1H3 |
InChI Key: | IQXWFHDFTAZGNB-UHFFFAOYSA-N |
Boiling Point: | 285.5 °C at 760 mmHg |
Density: | 1.348 g/cm3 |
Appearance: | N/A |
LogP: | 0.65380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121423-A | ALA hybrid 3-hydroxypyridone derivative and preparation method and application thereof | 20210310 |
WO-2021173591-A1 | Compounds and methods of use | 20200224 |
WO-2021062245-A1 | Pyridone compounds and methods of use in the modulation of a protein kinase | 20190926 |
CN-108191746-B | Hydroxypyridones compound and preparation method and application thereof | 20180202 |
WO-2019194769-A2 | Anti cancer and anti tyrosinase activities of kojic acid derived compounds | 20171212 |
PMID | Publication Date | Title | Journal |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
20108269 | 20100301 | Anticonvulsant and neurotoxicity evaluation of some novel kojic acids and allomaltol derivatives | Archiv der Pharmazie |
19056147 | 20090501 | Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives | European journal of medicinal chemistry |
21582022 | 20090131 | 5-Hydr-oxy-2-methyl-4H-pyran-4-one | Acta crystallographica. Section E, Structure reports online |
16127663 | 20050901 | Structural characterization of chelator-terminated dendrimers and their synthetic intermediates by mass spectrometry | Journal of mass spectrometry : JMS |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.031694049 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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