| CAS Number | 1784377-67-8 |
| Catalog Number | AG00HZU5(AGN-PC-0WRADM) |
| Chemical Name | 2-Amino-1,3-benzoxazole-4-carboxylic acid |
| IUPAC Name | 2-amino-1,3-benzoxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H6N2O3/c9-8-10-6-4(7(11)12)2-1-3-5(6)13-8/h1-3H,(H2,9,10)(H,11,12) |
| InChI Key | QAINPTBCPNUNLG-UHFFFAOYSA-N |
| MDL Number | MFCD27936869 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | NC1OC2=C(C(C(O)=O)=CC=C2)N=1 |
| Synonyms | 2-amino-1,3-benzoxazole-4-carboxylic acid,
1784377-67-8,
2-Aminobenzo[d]oxazole-4-carboxylic acid,
SCHEMBL3990631,
ZINC97757404,
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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 | 0.9 |
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Certificate of Analysis
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