2-Methoxyacetophenone - CAS 4079-52-1
Catalog: |
BB024669 |
Product Name: |
2-Methoxyacetophenone |
CAS: |
4079-52-1 |
Synonyms: |
2-methoxy-1-phenylethanone |
IUPAC Name: | 2-methoxy-1-phenylethanone |
Description: | 2-Methoxyacetophenone (CAS# 4079-52-1) is used as a reactant in the preparation of diarylpyrazoles as cyclooxygenase 2 inhibitors. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | COCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
InChI Key: | YRNDGUSDBCARGC-UHFFFAOYSA-N |
Boiling Point: | 245-248 °C (18 torr) |
Density: | 1.09 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00008499 |
LogP: | 1.51570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22511292 | 20121201 | Dried blood spot on-card derivatization: an alternative form of sample handling to overcome the instability of thiorphan in biological matrix | Biomedical chromatography : BMC |
22221489 | 20120105 | Health effects of dietary phospholipids | Lipids in health and disease |
22199722 | 20111201 | (E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-meth-oxy-phen-yl)ethyl-idene]hydrazine | Acta crystallographica. Section E, Structure reports online |
20544255 | 20101101 | Didymosphaeria igniaria: a new microorganism useful for the enantioselective reduction of aryl-aliphatic ketones | Journal of industrial microbiology & biotechnology |
21589157 | 20101031 | (1E,2E)-1,2-Bis[1-(2-methoxy-phen-yl)ethyl-idene]hydrazine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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