| CAS Number | 50897-30-8 |
| Catalog Number | AG00DMZT(AGN-PC-0S9AUL) |
| Chemical Name | 2-Amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid |
| IUPAC Name | 2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14) |
| InChI Key | YEMITEDRQMFNKS-UHFFFAOYSA-N |
| MDL Number | MFCD09998363 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COC1=CC=C(C(C(C(O)=O)N)O)C=C1 |
| Synonyms | 2-Amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid,
50897-30-8,
SCHEMBL9322760,
CTK7A2118,
KS-00002AUA,
YEMITEDRQMFNKS-UHFFFAOYSA-N,
beta-Hydroxy-O-methyl-DL-tyrosine,
ZX-AT003776,
MFCD09998363,
AKOS015152395,
MCULE-2110365086,
OR13802,
PS-8007,
BBV-41269407,
4-(2-Amino-2-carboxy-1-hydroxyethyl)anisole,
K-9390,
2-Amino-3-hydroxy-3-(4-methoxyphenyl)propionic acid,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number