| CAS Number | 119349-34-7 |
| Catalog Number | AG01ELN3(AGN-PC-02KWUC) |
| Chemical Name | 2-amino-3-(3-phenoxyphenyl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(3-phenoxyphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C15H15NO3.ClH/c16-14(15(17)18)10-11-5-4-8-13(9-11)19-12-6-2-1-3-7-12;/h1-9,14H,10,16H2,(H,17,18);1H |
| InChI Key | JGDVZDWOPBLSRU-UHFFFAOYSA-N |
| MDL Number | MFCD31559825 |
| Molecular Formula | C15H16ClNO3 |
| Molecular Weight | 293.7454 |
| SMILES | Cl.NC(C(O)=O)CC1=CC(OC2=CC=CC=C2)=CC=C1 |
| Synonyms | SCHEMBL6928261,
2-amino-3-(3-phenoxyphenyl)propanoic acid hydrochloride,
119349-34-7,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.747g/mol |
| Monoisotopic Mass | 293.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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