| CAS Number | 1225553-37-6 |
| Catalog Number | AG0017FS(AGN-PC-0WD3VT) |
| Chemical Name | Methyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C12H14O5/c1-15-8-4-5-11(16-2)9(6-8)10(13)7-12(14)17-3/h4-6H,7H2,1-3H3 |
| InChI Key | WLSWSBDPGZVKSB-UHFFFAOYSA-N |
| MDL Number | MFCD07778434 |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.2366 |
| SMILES | COC(CC(C1=C(OC)C=CC(OC)=C1)=O)=O |
| Synonyms | Methyl 3-(2,5-dimethoxyphenyl)-3-oxopropanoate,
1225553-37-6,
METHYL 2,5-DIMETHOXYBENZOYLACETATE,
CTK6J1659,
DTXSID10724407,
MFCD07778434,
ZINC41279751,
AKOS017559130,
AJ-104110,
AX8282276,
BC4716590,
CS-0036542,
FT-0718975,
Benzenepropanoic acid, 2,5-dimethoxy-beta-oxo-, methyl ester,
ACN-036566,
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| 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
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Certificate of Analysis
Lot Number