CAS
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Specification
The molecular formula is C10H9NO4.
The molecular weight is 207.18 g/mol.
The IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
The InChI code is InChI=1S/C10H9NO4/c1-6-2-3-8-7(4-6)11(5-9(12)13)10(14)15-8/h2-4H,5H2,1H3,(H,12,13).
The InChIKey is JJMSSIVSZNVZFE-UHFFFAOYSA-N.
The canonical SMILES representation is CC1=CC2=C(C=C1)OC(=O)N2CC(=O)O.
The CAS number is 767304-83-6.
There is 1 hydrogen bond donor atom.
There are 4 hydrogen bond acceptor atoms.