CAS
1172603-97-2 Purity
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1172603-97-2 Purity
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Specification
The molecular formula is C5H8INO.
The molecular weight is 225.03 g/mol.
The IUPAC name is 3-(dimethylamino)-2-iodoprop-2-enal.
The InChI is InChI=1S/C5H8INO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3.
The InChIKey is AHWCNVWCBYBGQI-UHFFFAOYSA-N.
The canonical SMILES is CN(C)C=C(C=O)I.
The CAS number is 1228184-62-0.
The EC number is 693-966-3.
The XLogP3-AA value is 0.7.
Yes, 3-(Dimethylamino)-2-iodoacrolein is considered a canonicalized compound.