What is the molecular formula of n-Amyl isopropyl ketone?
The molecular formula of n-Amyl isopropyl ketone is C9H18O.
What is the PubChem CID of n-Amyl isopropyl ketone?
The PubChem CID of n-Amyl isopropyl ketone is 70209.
What is the IUPAC name of n-Amyl isopropyl ketone?
The IUPAC name of n-Amyl isopropyl ketone is 2-methyloctan-3-one.
What is the InChI of n-Amyl isopropyl ketone?
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.
What is the InChIKey of n-Amyl isopropyl ketone?
The InChIKey of n-Amyl isopropyl ketone is ODSKXCNVESXQCZ-UHFFFAOYSA-N.
What is the canonical SMILES of n-Amyl isopropyl ketone?
The canonical SMILES of n-Amyl isopropyl ketone is CCCCCC(=O)C(C)C.
What is the molecular weight of n-Amyl isopropyl ketone?
The molecular weight of n-Amyl isopropyl ketone is 142.24 g/mol.
What is the XLogP3-AA value of n-Amyl isopropyl ketone?
The XLogP3-AA value of n-Amyl isopropyl ketone is 2.9.
What is the hydrogen bond donor count of n-Amyl isopropyl ketone?
The hydrogen bond donor count of n-Amyl isopropyl ketone is 0.
Is n-Amyl isopropyl ketone a canonicalized compound?
Yes, n-Amyl isopropyl ketone is a canonicalized compound.