| CAS Number | 300840-18-0 |
| Catalog Number | AG00BE2K |
| Chemical Name | Methyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C12H14O5/c1-15-10-6-4-5-8(12(10)17-3)9(13)7-11(14)16-2/h4-6H,7H2,1-3H3 |
| InChI Key | YKNHWGHYAMQMFT-UHFFFAOYSA-N |
| MDL Number | MFCD03424783 |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.2366 |
| SMILES | COC1=C(C=CC=C1OC)C(CC(=O)OC)=O |
| Synonyms | methyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate,
300840-18-0,
3-(2,3-Dimethoxy-phenyl)-3-oxo-propionic acid methyl ester,
3-(2,3-dimethoxyphenyl)-3-oxo-propionic acidmethyl ester,
AC1MBY85,
CTK8E4152,
ZINC2575883,
ACM300840180,
RT-019355,
methyl 3-oxo-3-(2,3-dimethoxyphenyl)propanoate,
3-(2,3-dimethoxy-phenyl)-3-oxo-propionic acidmethyl ester,
3-(2,3-dimethoxyphenyl)-3-oxo-propionic acid methyl ester,
ZINC02575883,
CID2758467,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.239g/mol |
| Monoisotopic Mass | 238.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number