| CAS Number | 1311315-81-7 |
| Catalog Number | AG00HSDW(AGN-PC-0WO683) |
| Chemical Name | 2-Amino-1,3-benzoxazole-6-carboxylic acid |
| IUPAC Name | 2-amino-1,3-benzoxazole-6-carboxylic acid |
| InChI | InChI=1S/C8H6N2O3/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12) |
| InChI Key | YDSHCJMXVFSPNJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917335 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | NC=1OC2=C(N1)C=CC(=C2)C(=O)O |
| Synonyms | 2-amino-1,3-benzoxazole-6-carboxylic acid,
1311315-81-7,
2-Aminobenzo[d]oxazole-6-carboxylic acid,
6-Benzoxazolecarboxylic acid, 2-amino-,
ZINC68592427,
AKOS024200580,
MCULE-3153294057,
NE45344,
EN300-78404,
Z1276446919,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.147g/mol |
| Monoisotopic Mass | 178.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number