CAS
898793-42-5 Purity
96%
898793-42-5 Purity
96%
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Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone
CAS
898793-45-8
Catalog Number
ACM898793458
Category
Other Products
Molecular Weight
216.32
Molecular Formula
C15H20O
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Specification
Synonyms
CYCLOBUTYL 2-(2,3-DIMETHYLPHENYL)ETHYL KETONE
IUPAC Name
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
Canonical SMILES
CC1=C(C(=CC=C1)CCC(=O)C2CCC2)C
InChI Key
WOPVFPDAHLIWBG-UHFFFAOYSA-N
Boiling Point
333.1ºC at 760 mmHg
Flash Point
141.2ºC
Density
1.02g/cm³
Exact Mass
216.15100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The molecular formula is C15H20O.
What is the molecular weight of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The molecular weight is 216.32 g/mol.
What is the IUPAC name of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The IUPAC name is 1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one.
What is the InChI of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The InChI is InChI=1S/C15H20O/c1-11-5-3-6-13(12(11)2)9-10-15(16)14-7-4-8-14/h3,5-6,14H,4,7-10H2,1-2H3.
What is the InChIKey of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The InChIKey is WOPVFPDAHLIWBG-UHFFFAOYSA-N.
How many hydrogen bond donor count does Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone have?
It has 0 hydrogen bond donor count.
What is the XLogP3-AA value of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The XLogP3-AA value is 3.6.
How many rotatable bond count does Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone have?
It has 4 rotatable bond count.
What is the topological polar surface area of Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone?
The topological polar surface area is 17.1 Ų.
Is Cyclobutyl 2-(2,3-dimethylphenyl)ethyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
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