| CAS Number | 1181537-45-0 |
| Catalog Number | AG019W8N |
| Chemical Name | Methyl 4-[4-(morpholin-4-yl)phenyl]-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(4-morpholin-4-ylphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C15H17NO5/c1-20-15(19)14(18)10-13(17)11-2-4-12(5-3-11)16-6-8-21-9-7-16/h2-5H,6-10H2,1H3 |
| InChI Key | HSJQSLULWYHTPE-UHFFFAOYSA-N |
| MDL Number | MFCD12912916 |
| Molecular Formula | C15H17NO5 |
| Molecular Weight | 291.2992 |
| SMILES | COC(C(CC(C1=CC=C(N2CCOCC2)C=C1)=O)=O)=O |
| Synonyms | methyl 4-[4-(morpholin-4-yl)phenyl]-2,4-dioxobutanoate,
1181537-45-0,
Methyl 4-(4-morpholinophenyl)-2,4-dioxobutanoate,
AC1Q41N2,
CTK6I6940,
AKOS034563658,
ZINC100587201,
MCULE-3220590519,
NE15616,
NCGC00325945-01,
EN300-51054,
AB01321003-02,
Z744592930,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.303g/mol |
| Monoisotopic Mass | 291.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number