CAS
6318-55-4 Purity
0.98
6318-55-4 Purity
0.98
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Specification
The molecular formula is C12H7NO3.
The molecular weight is 213.19 g/mol.
The IUPAC name is 8-amino-3-oxatricyclo[7.3.1.0 5,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
The InChI is InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2.
The InChIKey is QIXHMCMCFSNKOG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)N.
The CAS number is 6492-86-0.
The EC number is 229-372-4.
The ChEMBL ID is CHEMBL2323375.