| CAS Number | 1007112-51-7 |
| Catalog Number | AG00H9AW(AGN-PC-0WRAF1) |
| Chemical Name | Methyl 2-amino-1,3-benzoxazole-4-carboxylate |
| IUPAC Name | methyl 2-amino-1,3-benzoxazole-4-carboxylate |
| InChI | InChI=1S/C9H8N2O3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11) |
| InChI Key | JPOWPIRBUDTROX-UHFFFAOYSA-N |
| MDL Number | MFCD20527697 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COC(=O)C1=C2C(=CC=C1)OC(=N2)N |
| Synonyms | 1007112-51-7,
methyl 2-aminobenzoxazole-4-carboxylate,
methyl 2-aminobenzo[d]oxazole-4-carboxylate,
methyl 2-amino-1,3-benzoxazole-4-carboxylate,
SCHEMBL1004337,
JPOWPIRBUDTROX-UHFFFAOYSA-N,
ZINC115009465,
2-Aminobenzoxazole-4-carboxylic acid methyl ester,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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