| CAS Number | 70080-61-4 |
| Catalog Number | AG0064NW(AGN-PC-0WCF2V) |
| Chemical Name | ethyl 2-(4-ethoxyphenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(4-ethoxyphenyl)-2-oxoacetate |
| InChI | InChI=1S/C12H14O4/c1-3-15-10-7-5-9(6-8-10)11(13)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | HJVOTTIXQHVSBN-UHFFFAOYSA-N |
| MDL Number | MFCD00858993 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | C(=O)(C(=O)OCC)c1ccc(OCC)cc1 |
| Synonyms | Ethyl 4-ethoxybenzoylformate,
70080-61-4,
ethyl (4-ethoxyphenyl)(oxo)acetate,
SCHEMBL11430643,
CTK5D1785,
DTXSID70604852,
ZX-AS004999,
BBL023613,
MFCD00858993,
STL356044,
ZINC15442242,
AKOS010879674,
MCULE-5556197157,
ethyl 2-(4-ethoxyphenyl)-2-oxoacetate,
ethyl 4-ethoxybenzoylformate, AldrichCPR,
(4-ethoxyphenyl)oxoacetic acid ethyl ester,
T8121,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number