| CAS Number | 440354-06-3 |
| Catalog Number | AG003ASY(AGN-PC-0MTMM0) |
| Chemical Name | 2-Amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid |
| IUPAC Name | 2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid |
| InChI | InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15) |
| InChI Key | APPLEPDDBNLZPX-UHFFFAOYSA-N |
| MDL Number | MFCD24652540 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | NC(C(=O)O)CC(C1=CC(=CC=C1)O)O |
| Synonyms | 2-amino-4-(3'-hydroxyphenyl)-4-hydroxybutanoic acid,
2-amino-HPHBA,
CHEMBL120534,
2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic Acid,
SCHEMBL617705,
BDBM50109155,
2-amino-4-[3''-hydroxyphenyl]-4-hydroxybutanoic acid,
2-amino-4-[3'-hydroxyphenyl]-4-hydroxybutanoic acid,
2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric acid,
440354-06-3,
CID9794338,
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| Complexity | 222 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number