| CAS Number | 179814-91-6 |
| Catalog Number | AG01A358(AGN-PC-0QBOW8) |
| Chemical Name | methyl 2-amino-2-(3-hydroxyphenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(3-hydroxyphenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-3-2-4-7(11)5-6;/h2-5,8,11H,10H2,1H3;1H |
| InChI Key | QHOGBTIFQCZFPT-UHFFFAOYSA-N |
| MDL Number | MFCD22628509 |
| Molecular Formula | C9H12ClNO3 |
| Molecular Weight | 217.6495 |
| SMILES | Cl.NC(C(=O)OC)C1=CC(=CC=C1)O |
| Synonyms | methyl 2-amino-2-(3-hydroxyphenyl)acetate hydrochloride,
179814-91-6,
AKOS026740908,
NE29569,
|
| Complexity | 184 |
| 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 | 3 |
| 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