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Structure

n-Amyl isopropyl ketone

CAS
923-28-4
Catalog Number
ACM923284
Category
Other Products
Molecular Weight
142.24
Molecular Formula
C9H18O

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Specification

Synonyms
n-Amyl isopropyl ketone;2-Methyl-3-octanone
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.

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