CAS
898790-22-2 Purity
96%
898790-22-2 Purity
96%
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Cyclobutyl 2-(2-methylphenyl)ethyl ketone
CAS
898790-25-5
Catalog Number
ACM898790255
Category
Other Products
Molecular Weight
202.29
Molecular Formula
C14H18O
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Specification
Synonyms
CYCLOBUTYL 2-(2-METHYLPHENYL)ETHYL KETONE
IUPAC Name
1-cyclobutyl-3-(2-methylphenyl)propan-1-one
Canonical SMILES
CC1=CC=CC=C1CCC(=O)C2CCC2
InChI Key
HOSBZLOSGGQJAT-UHFFFAOYSA-N
Boiling Point
312.4ºC at 760 mmHg
Flash Point
131.2ºC
Density
1.033g/cm³
Exact Mass
202.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The molecular formula is C14H18O.
What is the molecular weight of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The molecular weight is 202.29 g/mol.
What is the IUPAC name of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The IUPAC name is 1-cyclobutyl-3-(2-methylphenyl)propan-1-one.
What is the InChI key of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The InChI key is HOSBZLOSGGQJAT-UHFFFAOYSA-N.
What is the Canonical SMILES of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The Canonical SMILES is CC1=CC=CC=C1CCC(=O)C2CCC2.
What is the XLogP3-AA value of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The XLogP3-AA value is 3.2.
How many hydrogen bond acceptors are present in Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
There is 1 hydrogen bond acceptor.
What is the topological polar surface area of Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
The topological polar surface area is 17.1 Å2.
How many rotatable bond counts are there in Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
There are 4 rotatable bonds.
Is the compound canonicalized in Cyclobutyl 2-(2-methylphenyl)ethyl ketone?
Yes, the compound is canonicalized.
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