CAS
898790-59-5 Purity
96%
898790-59-5 Purity
96%
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3-Chlorophenyl cyclobutyl ketone
CAS
898790-62-0
Catalog Number
ACM898790620
Category
Other Products
Molecular Weight
194.66
Molecular Formula
C11H11ClO
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Specification
Synonyms
3-CHLOROPHENYL CYCLOBUTYL KETONE
IUPAC Name
(3-chlorophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=CC=C2)Cl
InChI Key
LWVINGNTSZVZHE-UHFFFAOYSA-N
Boiling Point
302.2ºC at 760 mmHg
Flash Point
154ºC
Density
1.217g/cm³
Exact Mass
194.05000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-Chlorophenyl cyclobutyl ketone?
The molecular formula is C11H11ClO.
What is the molecular weight of 3-Chlorophenyl cyclobutyl ketone?
The molecular weight is 194.66 g/mol.
When was 3-Chlorophenyl cyclobutyl ketone created in PubChem?
It was created on February 29, 2008.
What is the IUPAC name of 3-Chlorophenyl cyclobutyl ketone?
The IUPAC name is (3-chlorophenyl)-cyclobutylmethanone.
What is the InChI of 3-Chlorophenyl cyclobutyl ketone?
The InChI is InChI=1S/C11H11ClO/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8H,1,3-4H2.
What is the InChIKey of 3-Chlorophenyl cyclobutyl ketone?
The InChIKey is LWVINGNTSZVZHE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-Chlorophenyl cyclobutyl ketone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-Chlorophenyl cyclobutyl ketone?
The topological polar surface area is 17.1 Ų.
Is 3-Chlorophenyl cyclobutyl ketone a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
What is the XLogP3 value of 3-Chlorophenyl cyclobutyl ketone?
The XLogP3 value is 3.5.
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