| CAS Number | 923225-52-9 |
| Catalog Number | AG019KBH |
| Chemical Name | 2-methyl-4-(morpholin-4-yl)-4-oxo-2-(propan-2-yl)butanoic acid |
| IUPAC Name | 2-methyl-4-morpholin-4-yl-4-oxo-2-propan-2-ylbutanoic acid |
| InChI | InChI=1S/C12H21NO4/c1-9(2)12(3,11(15)16)8-10(14)13-4-6-17-7-5-13/h9H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | XGPJZPYCBLZCGW-UHFFFAOYSA-N |
| MDL Number | MFCD08691272 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(C(C(O)=O)(CC(N1CCOCC1)=O)C)C |
| Synonyms | 2-methyl-4-(morpholin-4-yl)-4-oxo-2-(propan-2-yl)butanoic acid,
923225-52-9,
2-isopropyl-2-methyl-4-morpholin-4-yl-4-oxobutanoic acid,
AC1Q1O1F,
CTK6A3638,
AKOS009106937,
MCULE-1616571149,
NE43165,
EN300-26276,
Z223042386,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number