| CAS Number | 86109-34-4 |
| Catalog Number | AG01AKEQ(AGN-PC-0V2PQ9) |
| Chemical Name | Methyl 3-(4-Methoxyphenyl)-2-Methyl-3-Oxopropanoate |
| IUPAC Name | methyl 3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate |
| InChI | InChI=1S/C12H14O4/c1-8(12(14)16-3)11(13)9-4-6-10(15-2)7-5-9/h4-8H,1-3H3 |
| InChI Key | KKCHBAKJRXLXAS-UHFFFAOYSA-N |
| MDL Number | MFCD16076972 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | O=C(OC)C(C)C(C1=CC=C(OC)C=C1)=O |
| Synonyms | methyl 3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate,
86109-34-4,
methyl 3-(4'-methoxyphenyl)-2-methyl-3-oxopropanoate,
SCHEMBL18082660,
AKOS010952458,
MCULE-6710709435,
NE22614,
EN300-83886,
2-(4-Methoxybenzoyl)propionic acid methyl ester,
Z1251171296,
CID10878734,
Methyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-propanoate,
|
| Complexity | 254 |
| 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 | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number