| CAS Number | 60640-63-3 |
| Catalog Number | AG01C51Q |
| Chemical Name | Methyl 4-(3-hydroxyphenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(3-hydroxyphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H10O5/c1-16-11(15)10(14)6-9(13)7-3-2-4-8(12)5-7/h2-5,12H,6H2,1H3 |
| InChI Key | FKIUBGJCNKLEDS-UHFFFAOYSA-N |
| MDL Number | MFCD29763269 |
| Molecular Formula | C11H10O5 |
| Molecular Weight | 222.1941 |
| SMILES | COC(C(CC(C1=CC(O)=CC=C1)=O)=O)=O |
| Synonyms | methyl 4-(3-hydroxyphenyl)-2,4-dioxobutanoate,
60640-63-3,
SCHEMBL11269818,
4-(3-hydroxy-phenyl)-2,4-dioxo-butyric acid methyl ester,
ZINC105624137,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.196g/mol |
| Monoisotopic Mass | 222.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number