| CAS Number | 1803560-98-6 |
| Catalog Number | AG01B8CC |
| Chemical Name | 3-Amino-2-phenoxypropanoic acid hydrochloride |
| IUPAC Name | 3-amino-2-phenoxypropanoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO3.ClH/c10-6-8(9(11)12)13-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H |
| InChI Key | VZBNQIDGUHNFNG-UHFFFAOYSA-N |
| MDL Number | MFCD28246468 |
| Molecular Formula | C9H12ClNO3 |
| Molecular Weight | 217.6495 |
| SMILES | Cl.NCC(C(O)=O)OC1=CC=CC=C1 |
| Synonyms | 3-amino-2-phenoxypropanoic acid hydrochloride,
1803560-98-6,
(2R)-3-Amino-2-phenoxypropanoic acid hydrochloride,
(2S)-3-amino-2-phenoxypropanoic acid hydrochloride,
1807937-72-9,
1955482-83-3,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.649g/mol |
| Monoisotopic Mass | 217.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number