923276-49-7 Purity
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Specification
The molecular formula of n-Amyl isopropyl ketone is C9H18O.
The PubChem CID of n-Amyl isopropyl ketone is 70209.
The IUPAC name of n-Amyl isopropyl ketone is 2-methyloctan-3-one.
The InChI of n-Amyl isopropyl ketone is InChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h8H,4-7H2,1-3H3.
The InChIKey of n-Amyl isopropyl ketone is ODSKXCNVESXQCZ-UHFFFAOYSA-N.
The canonical SMILES of n-Amyl isopropyl ketone is CCCCCC(=O)C(C)C.
The molecular weight of n-Amyl isopropyl ketone is 142.24 g/mol.
The XLogP3-AA value of n-Amyl isopropyl ketone is 2.9.
The hydrogen bond donor count of n-Amyl isopropyl ketone is 0.
Yes, n-Amyl isopropyl ketone is a canonicalized compound.