CAS
5557-87-9 Purity
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5557-87-9 Purity
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Specification
The molecular formula is C9H11NO2.
The molecular weight is 165.19 g/mol.
The IUPAC name is 3-(1,3-dioxolan-2-yl)aniline.
The InChI is InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5,10H2.
The InChIKey is SPLTWZBWXIJQME-UHFFFAOYSA-N.
The canonical SMILES is C1COC(O1)C2=CC(=CC=C2)N.
The CAS number is 6398-87-4.
The European Community (EC) number is 678-915-5.
The DSSTox Substance ID is DTXSID50427243.
Yes, it is a canonicalized compound.