| CAS Number | 32766-61-3 |
| Catalog Number | AG00CIVN(AGN-PC-0R85T1) |
| Chemical Name | Methyl 2-(4-methoxyphenyl)-2-oxoacetate |
| IUPAC Name | methyl 2-(4-methoxyphenyl)-2-oxoacetate |
| InChI | InChI=1S/C10H10O4/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6H,1-2H3 |
| InChI Key | DDRPUCDBTNWIFK-UHFFFAOYSA-N |
| MDL Number | MFCD00101050 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | O=C(C(C1=CC=C(C=C1)OC)=O)OC |
| Synonyms | methyl 2-(4-methoxyphenyl)-2-oxoacetate,
32766-61-3,
methyl 4-methoxybenzoylformate,
AC1MU61E,
SCHEMBL2122107,
ZINC2145127,
AKOS006273584,
4-Methoxyphenyloxoacetic acid methyl ester,
AS-44210,
4-Methoxy-oxo-benzeneacetic acid methyl ester,
CID3660944,
Methyl 2-(4-methoxyphenyl)-2-oxo-acetate,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number