CAS
898792-08-0 Purity
96%
898792-08-0 Purity
96%
Shopping basket
3-Cyanophenyl cyclohexyl ketone
CAS
898792-11-5
Catalog Number
ACM898792115
Category
Other Products
Molecular Weight
213.27
Molecular Formula
C14H15NO
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
3-CYANOPHENYL CYCLOHEXYL KETONE
IUPAC Name
3-(cyclohexanecarbonyl)benzonitrile
Canonical SMILES
C1CCC(CC1)C(=O)C2=CC=CC(=C2)C#N
InChI Key
ZBSJNGQDXHAFOF-UHFFFAOYSA-N
Boiling Point
360.7ºC at 760 mmHg
Flash Point
171.9ºC
Density
1.1g/cm³
Exact Mass
213.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Cyanophenyl cyclohexyl ketone?
The molecular formula of 3-Cyanophenyl cyclohexyl ketone is C14H15NO.
When was 3-Cyanophenyl cyclohexyl ketone created in PubChem?
3-Cyanophenyl cyclohexyl ketone was created in PubChem on February 29, 2008.
What is the molecular weight of 3-Cyanophenyl cyclohexyl ketone?
The molecular weight of 3-Cyanophenyl cyclohexyl ketone is 213.27 g/mol.
What is the IUPAC name of 3-Cyanophenyl cyclohexyl ketone?
The IUPAC name of 3-Cyanophenyl cyclohexyl ketone is 3-(cyclohexanecarbonyl)benzonitrile.
How many hydrogen bond acceptor count does 3-Cyanophenyl cyclohexyl ketone have?
3-Cyanophenyl cyclohexyl ketone has 2 hydrogen bond acceptor count.
What is the Canonical SMILES of 3-Cyanophenyl cyclohexyl ketone?
The Canonical SMILES of 3-Cyanophenyl cyclohexyl ketone is C1CCC(CC1)C(=O)C2=CC=CC(=C2)C#N.
Is 3-Cyanophenyl cyclohexyl ketone covalently-bonded unit count 1?
Yes, the covalently-bonded unit count of 3-Cyanophenyl cyclohexyl ketone is 1.
How many rotatable bond count does 3-Cyanophenyl cyclohexyl ketone have?
3-Cyanophenyl cyclohexyl ketone has 2 rotatable bond count.
What is the InChIKey of 3-Cyanophenyl cyclohexyl ketone?
The InChIKey of 3-Cyanophenyl cyclohexyl ketone is ZBSJNGQDXHAFOF-UHFFFAOYSA-N.
What is the topological polar surface area value of 3-Cyanophenyl cyclohexyl ketone?
The topological polar surface area value of 3-Cyanophenyl cyclohexyl ketone is 40.9 Ų.
Recommended Products
