CAS
620-92-8 Purity
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620-92-8 Purity
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Specification
PubChem CID 79076.
The molecular formula is C3H6N2O7.
The molecular weight is 182.09 g/mol.
The IUPAC name is (1-hydroxy-3-nitrooxypropan-2-yl) nitrate.
The InChI is InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2.
The InChIKey is GFVHBTOOPNJKLV-UHFFFAOYSA-N.
The canonical SMILES is C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O.
The CAS number is 621-65-8.
It has 1 hydrogen bond donor count.
Yes, it is a canonicalized compound.