| CAS Number | 851075-63-3 |
| Catalog Number | AG00GA7K(AGN-PC-0A9Z9V) |
| Chemical Name | 6-Benzoxazolecarboxylic acid, 2-amino-, methyl ester |
| IUPAC Name | methyl 2-amino-1,3-benzoxazole-6-carboxylate |
| InChI | InChI=1S/C9H8N2O3/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11) |
| InChI Key | SBAXJJRFJSWBGJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917418 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COC(=O)c1ccc2c(c1)oc(n2)N |
| Synonyms | methyl 2-amino-1,3-benzoxazole-6-carboxylate,
851075-63-3,
methyl 2-aminobenzoxazole-6-carboxylate,
6-Benzoxazolecarboxylic acid, 2-amino-, methyl ester,
ZINC68593528,
AKOS026729771,
NE16427,
EN300-79370,
2-Aminobenzoxazole-6-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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number