| CAS Number | 6724-93-2 |
| Catalog Number | AG00IBOX(AGN-PC-0WRABD) |
| Chemical Name | Methyl 3-[(morpholin-4-yl)carbonyl]benzoate |
| IUPAC Name | methyl 3-(morpholine-4-carbonyl)benzoate |
| InChI | InChI=1S/C13H15NO4/c1-17-13(16)11-4-2-3-10(9-11)12(15)14-5-7-18-8-6-14/h2-4,9H,5-8H2,1H3 |
| InChI Key | BMDHMDRHBBIVDS-UHFFFAOYSA-N |
| MDL Number | MFCD09234634 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | COC(=O)c1cccc(c1)C(=O)N1CCOCC1 |
| Synonyms | 6724-93-2,
Methyl 3-[(morpholin-4-yl)carbonyl]benzoate,
METHYL 3-(MORPHOLIN-4-YLCARBONYL)BENZOATE,
SCHEMBL4206984,
BMDHMDRHBBIVDS-UHFFFAOYSA-N,
KM1078,
ZINC10291069,
methyl 3-(morpholine-4-carbonyl)benzoate,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.266g/mol |
| Monoisotopic Mass | 249.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number