| CAS Number | 60943-40-0 |
| Catalog Number | AG00EKOW(AGN-PC-0SY7KD) |
| Chemical Name | Ethyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C13H14O5/c1-3-18-13(16)12(15)8-11(14)9-5-4-6-10(7-9)17-2/h4-7H,3,8H2,1-2H3 |
| InChI Key | QUKANMABXJIQRZ-UHFFFAOYSA-N |
| MDL Number | MFCD00091625 |
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.2473 |
| SMILES | COC=1C=C(C=CC1)C(CC(C(=O)OCC)=O)=O |
| Synonyms | Ethyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate,
60943-40-0,
AC1LCIGX,
Ethyl 3-methoxy-a,g-dioxo-benzenebutanoate,
SCHEMBL7028931,
KS-00001KIT,
QUKANMABXJIQRZ-UHFFFAOYSA-N,
KM0451,
MFCD00091625,
AKOS000210495,
ZINC100025966,
Ethyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate #,
2-Oxo-3-[3-methoxybenzoyl]propanoic acid, ethyl ester,
CID600806,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.25g/mol |
| Monoisotopic Mass | 250.084g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number