CAS
94953-91-0 Purity
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94953-91-0 Purity
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The molecular formula is C5H10N6O4.
The molecular weight is 218.17 g/mol.
The IUPAC name is 3,7-dinitro-1,3,5,7-tetrazabicyclo[3.3.1]nonane.
The InChI is InChI=1S/C5H10N6O4/c12-10(13)8-2-6-1-7(4-8)5-9(3-6)11(14)15/h1-5H2.
The InChIKey is UOYIYWCAYFTQLH-UHFFFAOYSA-N.
The Canonical SMILES is C1N2CN(CN1CN(C2)[N+](=O)[O-])[N+](=O)[O-].
The CAS number is 949-56-4.
The EC number is 213-441-0.
The DSSTox Substance ID is DTXSID10915232.
Yes, it is a canonicalized compound according to PubChem.