CAS
898790-45-9 Purity
96%
898790-45-9 Purity
96%
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3-Cyanophenyl cyclobutyl ketone
CAS
898790-48-2
Catalog Number
ACM898790482
Category
Other Products
Molecular Weight
185.22
Molecular Formula
C12H11NO
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Specification
Synonyms
3-CYANOPHENYL CYCLOBUTYL KETONE
IUPAC Name
3-(cyclobutanecarbonyl)benzonitrile
Canonical SMILES
C1CC(C1)C(=O)C2=CC=CC(=C2)C#N
InChI Key
ARDHMRMXPTZBMD-UHFFFAOYSA-N
Boiling Point
330ºC at 760 mmHg
Flash Point
153.4ºC
Density
1.15g/cm³
Exact Mass
185.08400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Cyanophenyl cyclobutyl ketone?
The molecular formula of 3-Cyanophenyl cyclobutyl ketone is C12H11NO.
What is the molecular weight of 3-Cyanophenyl cyclobutyl ketone?
The molecular weight of 3-Cyanophenyl cyclobutyl ketone is 185.22 g/mol.
What is the IUPAC name of 3-Cyanophenyl cyclobutyl ketone?
The IUPAC name of 3-Cyanophenyl cyclobutyl ketone is 3-(cyclobutanecarbonyl)benzonitrile.
What is the Canonical SMILES of 3-Cyanophenyl cyclobutyl ketone?
The Canonical SMILES of 3-Cyanophenyl cyclobutyl ketone is C1CC(C1)C(=O)C2=CC=CC(=C2)C#N.
What is the InChIKey of 3-Cyanophenyl cyclobutyl ketone?
The InChIKey of 3-Cyanophenyl cyclobutyl ketone is ARDHMRMXPTZBMD-UHFFFAOYSA-N.
What is the CAS number for 3-Cyanophenyl cyclobutyl ketone?
The CAS number for 3-Cyanophenyl cyclobutyl ketone is 898790-48-2.
How many hydrogen bond donor counts are there in 3-Cyanophenyl cyclobutyl ketone?
There are 0 hydrogen bond donor counts in 3-Cyanophenyl cyclobutyl ketone.
What is the topological polar surface area of 3-Cyanophenyl cyclobutyl ketone?
The topological polar surface area of 3-Cyanophenyl cyclobutyl ketone is 40.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in 3-Cyanophenyl cyclobutyl ketone?
There are 2 rotatable bond counts in 3-Cyanophenyl cyclobutyl ketone.
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