3-(Benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic Acid - CAS 216581-47-4
Catalog: |
BB017047 |
Product Name: |
3-(Benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic Acid |
CAS: |
216581-47-4 |
Synonyms: |
6-methyl-4-oxo-3-phenylmethoxy-2-pyrancarboxylic acid; 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
IUPAC Name: | 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
Description: | 3-(Benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic Acid (CAS# 216581-47-4 ) is a useful research chemical. |
Molecular Weight: | 260.24 |
Molecular Formula: | C14H12O5 |
Canonical SMILES: | CC1=CC(=O)C(=C(O1)C(=O)O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O5/c1-9-7-11(15)12(13(19-9)14(16)17)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17) |
InChI Key: | WYDDQRFWOUARKA-UHFFFAOYSA-N |
LogP: | 2.22540 |
Publication Number | Title | Priority Date |
US-2019106398-A1 | Compositions and methods for inhibiting influenza rna polymerase pa endonuclease | 20160308 |
WO-2017156194-A1 | Compositions and methods for inhibiting influenza rna polymerase pa endonuclease | 20160308 |
US-10889556-B2 | Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease | 20160308 |
US-2014213553-A1 | Carbamoylpyridone derivatives | 20110503 |
US-2015291618-A1 | Carbamoylpyridone derivatives | 20110503 |
PMID | Publication Date | Title | Journal |
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 |
Complexity: | 441 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.06847348 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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