| CAS Number | 858712-33-1 |
| Catalog Number | AG008GA8(AGN-PC-0V2FCF) |
| Chemical Name | 4-morpholin-4-yl-2-phenyl-butyric acid |
| IUPAC Name | 4-morpholin-4-yl-2-phenylbutanoic acid |
| InChI | InChI=1S/C14H19NO3/c16-14(17)13(12-4-2-1-3-5-12)6-7-15-8-10-18-11-9-15/h1-5,13H,6-11H2,(H,16,17) |
| InChI Key | YXZMZIVJODDPQY-UHFFFAOYSA-N |
| MDL Number | MFCD09261412 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | OC(=O)C(CCN1CCOCC1)C1=CC=CC=C1 |
| Synonyms | 858712-33-1,
4-MORPHOLIN-4-YL-2-PHENYL-BUTYRIC ACID,
4-Morpholino-2-phenylbutanoic acid,
4-(4-morpholinyl)-2-phenylbutanoic acid,
CTK5F5875,
DTXSID00697156,
ACT10450,
4-Morpholinebutanoicacid, a-phenyl-,
MFCD09261412,
AKOS017553805,
SEL11441380,
4-morpholin-4-yl-2-phenyl-butanoic acid,
AS-38099,
4-(Morpholin-4-yl)-2-phenylbutanoic acid,
AX8099217,
X-1874,
A841475,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number