| CAS Number | 1019770-99-0 |
| Catalog Number | AG000651(AGN-PC-0WD03M) |
| Chemical Name | 2-Benzoxazolecarboxylic acid, sodium salt (1:1) |
| IUPAC Name | sodium;1,3-benzoxazole-2-carboxylate |
| InChI | InChI=1S/C8H5NO3.Na/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1 |
| InChI Key | LWJDCIURIBAZJN-UHFFFAOYSA-M |
| MDL Number | MFCD17676126 |
| Molecular Formula | C8H4NNaO3 |
| Molecular Weight | 185.1120 |
| SMILES | O=C(C1=NC2=CC=CC=C2O1)[O-].[Na+] |
| Synonyms | SODIUM BENZO[D]OXAZOLE-2-CARBOXYLATE,
1019770-99-0,
benzooxazole-2-carboxylic acid sodium salt,
SCHEMBL2335195,
LWJDCIURIBAZJN-UHFFFAOYSA-M,
MFCD17676126,
AKOS024015402,
benzoxazole-2-carboxylic acid sodium salt,
AB0070539,
AX8214954,
X-2600,
2-Benzoxazolecarboxylic acid, sodium salt (1:1),
F0001-0770,
21598-08-3,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.114g/mol |
| Monoisotopic Mass | 185.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number