| CAS Number | 345958-13-6 |
| Catalog Number | AG00I6U2(AGN-PC-0D8WOV) |
| Chemical Name | 2-Amino-1,3-benzoxazole-5-carboxylic acid |
| IUPAC Name | 2-amino-1,3-benzoxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H6N2O3/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H2,9,10)(H,11,12) |
| InChI Key | HDSPGGFTQAEPDL-UHFFFAOYSA-N |
| MDL Number | MFCD20642279 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | O=C(C1=CC=C(OC(N)=N2)C2=C1)O |
| Synonyms | 345958-13-6,
5-Benzoxazolecarboxylic acid, 2-amino-,
2-Aminobenzo[d]oxazole-5-carboxylic acid,
2-amino-1,3-benzoxazole-5-carboxylic acid,
SCHEMBL6789233,
ZINC73639537,
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| 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 |
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Certificate of Analysis
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