CAS
95182-50-6 Purity
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95182-50-6 Purity
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3-Methylbutyl 2-pyridyl ketone
CAS
95188-18-4
Catalog Number
ACM95188184
Category
Other Products
Molecular Weight
177.24
Molecular Formula
C11H15NO
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Specification
Synonyms
3-METHYLBUTYL 2-PYRIDYL KETONE
IUPAC Name
4-methyl-1-pyridin-2-ylpentan-1-one
Canonical SMILES
CC(C)CCC(=O)C1=CC=CC=N1
InChI Key
NMGCJJJARKYTJK-UHFFFAOYSA-N
Boiling Point
260.202ºC at 760 mmHg
Flash Point
118.035ºC
Density
0.981g/cm³
Exact Mass
177.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Methylbutyl 2-pyridyl ketone?
The molecular formula of 3-Methylbutyl 2-pyridyl ketone is C11H15NO.
When was the compound created in PubChem?
The compound was created in PubChem on October 26, 2006.
What is the IUPAC name of 3-Methylbutyl 2-pyridyl ketone?
The IUPAC name is 4-methyl-1-pyridin-2-ylpentan-1-one.
Can you provide the InChIKey of the compound?
The InChIKey is NMGCJJJARKYTJK-UHFFFAOYSA-N.
What is the Canonical SMILES notation for 3-Methylbutyl 2-pyridyl ketone?
The Canonical SMILES notation is CC(C)CCC(=O)C1=CC=CC=N1.
What is the molecular weight of the compound?
The molecular weight of 3-Methylbutyl 2-pyridyl ketone is 177.24 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many heavy atoms are present in the compound?
There are 13 heavy atoms in 3-Methylbutyl 2-pyridyl ketone.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of 3-Methylbutyl 2-pyridyl ketone?
The topological polar surface area is 30 Ų.
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