| CAS Number | 206353-28-8 |
| Catalog Number | AG01AD19(AGN-PC-0QVZXG) |
| Chemical Name | 2-amino-3-(1-benzofuran-2-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(1-benzofuran-2-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C11H11NO3.ClH/c12-9(11(13)14)6-8-5-7-3-1-2-4-10(7)15-8;/h1-5,9H,6,12H2,(H,13,14);1H |
| InChI Key | AIPMGMUQQIIYRV-UHFFFAOYSA-N |
| MDL Number | MFCD26936215 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | Cl.NC(C(O)=O)CC1OC2=C(C=CC=C2)C=1 |
| Synonyms | 2-amino-3-(1-benzofuran-2-yl)propanoic acid hydrochloride,
206353-28-8,
SCHEMBL8578217,
MCULE-8013856096,
Z1762997257,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number