| CAS Number | 192573-74-3 |
| Catalog Number | AG007R71(AGN-PC-048CI6) |
| Chemical Name | Methyl 2-[(morpholin-4-yl)carbonyl]benzoate |
| IUPAC Name | methyl 2-(morpholine-4-carbonyl)benzoate |
| InChI | InChI=1S/C13H15NO4/c1-17-13(16)11-5-3-2-4-10(11)12(15)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3 |
| InChI Key | FGLBLXPBCICDPT-UHFFFAOYSA-N |
| MDL Number | MFCD01001053 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | COC(=O)c1ccccc1C(=O)N1CCOCC1 |
| Synonyms | 192573-74-3,
Methyl 2-(morpholine-4-carbonyl)benzoate,
Benzoic acid, 2-(4-morpholinylcarbonyl)-, methyl ester,
Oprea1_185087,
CTK0A1754,
DTXSID90635865,
ZINC5355538,
AKOS030615386,
SC-57451,
Methyl 2-[(morpholin-4-yl)carbonyl]benzoate,
2-(Morpholinocarbonyl)benzoic acid methyl ester,
BENZOIC ACID,2-(4-MORPHOLINYLCARBONYL)-,METHYL EST,
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| 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 | 0.7 |
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Certificate of Analysis
Lot Number