| CAS Number | 70935-15-8 |
| Catalog Number | AG005Q48(AGN-PC-0OGY29) |
| Chemical Name | Methyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C13H14O6/c1-17-8-4-5-12(18-2)9(6-8)10(14)7-11(15)13(16)19-3/h4-6H,7H2,1-3H3 |
| InChI Key | FTPSUNCBLUXIAA-UHFFFAOYSA-N |
| MDL Number | MFCD07324060 |
| Molecular Formula | C13H14O6 |
| Molecular Weight | 266.2467 |
| SMILES | COC(C(CC(C1=C(OC)C=CC(OC)=C1)=O)=O)=O |
| Synonyms | methyl 4-(2,5-dimethoxyphenyl)-2,4-dioxobutanoate,
70935-15-8,
AC1NLR13,
AC1Q41MV,
SCHEMBL11227493,
CTK5D3196,
DTXSID00407151,
MFCD07324060,
AKOS009016160,
ZINC100489238,
NE60110,
EN300-13885,
SR-01000072250,
SR-01000072250-1,
CID4962709,
Methyl 4-(2,5-dimethoxyphenyl)-2,4-dioxo-butanoate,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.249g/mol |
| Monoisotopic Mass | 266.079g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number