| CAS Number | 1909308-67-3 |
| Catalog Number | AG01C30L |
| Chemical Name | methyl 3-(2-chloro-6-methoxyphenyl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(2-chloro-6-methoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C11H11ClO4/c1-15-9-5-3-4-7(12)11(9)8(13)6-10(14)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | DHIDQLARWPGKCH-UHFFFAOYSA-N |
| MDL Number | MFCD29762766 |
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.6556 |
| SMILES | COC(CC(C1=C(OC)C=CC=C1Cl)=O)=O |
| Synonyms | methyl 3-(2-chloro-6-methoxyphenyl)-3-oxopropanoate,
1909308-67-3,
AKOS033862589,
ZINC317089241,
Z2309761434,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.655g/mol |
| Monoisotopic Mass | 242.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number