CAS
898792-11-5 Purity
96%
898792-11-5 Purity
96%
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4-Cyanophenyl cyclohexyl ketone
CAS
898792-14-8
Catalog Number
ACM898792148
Category
Other Products
Molecular Weight
213.28175
Molecular Formula
C14H15NO
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Specification
Synonyms
4-CYANOPHENYL CYCLOHEXYL KETONE, 898792-14-8, AKOS016019938, KB-191193
IUPAC Name
4-(cyclohexanecarbonyl)benzonitrile
Canonical SMILES
C1CCC(CC1)C(=O)C2=CC=C(C=C2)C#N
InChI Key
PJPMXOBAIYBRRR-UHFFFAOYSA-N
Boiling Point
380.4ºC at 760 mmHg
Flash Point
183.9ºC
Density
1.1g/cm³
Exact Mass
213.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Cyanophenyl cyclohexyl ketone?
The molecular formula of 4-Cyanophenyl cyclohexyl ketone is C14H15NO.
When was 4-Cyanophenyl cyclohexyl ketone created in PubChem?
4-Cyanophenyl cyclohexyl ketone was created in PubChem on February 29, 2008.
What is the IUPAC Name of 4-Cyanophenyl cyclohexyl ketone?
The IUPAC Name of 4-Cyanophenyl cyclohexyl ketone is 4-(cyclohexanecarbonyl)benzonitrile.
What is the molecular weight of 4-Cyanophenyl cyclohexyl ketone?
The molecular weight of 4-Cyanophenyl cyclohexyl ketone is 213.27 g/mol.
What is the Canonical SMILES of 4-Cyanophenyl cyclohexyl ketone?
The Canonical SMILES of 4-Cyanophenyl cyclohexyl ketone is C1CCC(CC1)C(=O)C2=CC=C(C=C2)C#N.
What is the XLogP3-AA value of 4-Cyanophenyl cyclohexyl ketone?
The XLogP3-AA value of 4-Cyanophenyl cyclohexyl ketone is 3.4.
How many hydrogen bond donor count does 4-Cyanophenyl cyclohexyl ketone have?
4-Cyanophenyl cyclohexyl ketone has 0 hydrogen bond donor count.
What is the exact mass of 4-Cyanophenyl cyclohexyl ketone?
The exact mass of 4-Cyanophenyl cyclohexyl ketone is 213.115364102 g/mol.
How many defined atom stereocenter count does 4-Cyanophenyl cyclohexyl ketone have?
4-Cyanophenyl cyclohexyl ketone has 0 defined atom stereocenter count.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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