| CAS Number | 155388-93-5 |
| Catalog Number | AG00AV8G(AGN-PC-0Q6VH1) |
| Chemical Name | Benzoic acid, 5-amino-2-hydroxy-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl 5-amino-2-hydroxybenzoate |
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6,13H,12H2,1-3H3 |
| InChI Key | LLDXDSXJOWWPME-UHFFFAOYSA-N |
| MDL Number | MFCD12766677 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | NC=1C=CC(=C(C(=O)OC(C)(C)C)C1)O |
| Synonyms | tert-butyl 5-amino-2-hydroxybenzoate,
155388-93-5,
SCHEMBL2616107,
CTK8H0873,
Benzoic acid, 5-amino-2-hydroxy-, 1,1-dimethylethyl ester,
ZINC34076791,
AKOS010134816,
2-Methyl-2-propanyl 5-amino-2-hydroxybenzoate,
EN300-106138,
Z2526439840,
Benzoic acid, 5-amino-2-hydroxy-, 1,1-dimethylethyl ester (9CI),
Tert-butyl 5-amino-2-hydroxy-benzoate,
CID10013313,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number