| CAS Number | 155012-54-7 |
| Catalog Number | AG01DBNE(AGN-PC-0HJRDL) |
| Chemical Name | Methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate |
| IUPAC Name | methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate |
| InChI | InChI=1S/C9H7NO4/c1-13-9(12)7-6(11)3-2-5-8(7)14-4-10-5/h2-4,11H,1H3 |
| InChI Key | MQCNSLUZBIIJIR-UHFFFAOYSA-N |
| MDL Number | MFCD28676739 |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.1562 |
| SMILES | COC(C1=C2C(N=CO2)=CC=C1O)=O |
| Synonyms | methyl 6-hydroxy-1,3-benzoxazole-7-carboxylate,
155012-54-7,
SCHEMBL8674319,
7-Benzoxazolecarboxylic acid, 6-hydroxy-, methyl ester,
CS-W000062,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.158g/mol |
| Monoisotopic Mass | 193.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number