CAS
898791-31-6 Purity
96%
898791-31-6 Purity
96%
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2-Cyanophenyl cyclopentyl ketone
CAS
898791-34-9
Catalog Number
ACM898791349
Category
Other Products
Molecular Weight
199.25
Molecular Formula
C13H13NO
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Specification
Synonyms
2-CYANOPHENYL CYCLOPENTYL KETONE
IUPAC Name
2-(cyclopentanecarbonyl)benzonitrile
Canonical SMILES
C1CCC(C1)C(=O)C2=CC=CC=C2C#N
InChI Key
GBEFWVXZZRTNFV-UHFFFAOYSA-N
Boiling Point
359.8ºC at 760 mmHg
Flash Point
171.4ºC
Density
1.12g/cm³
Exact Mass
199.10000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular weight of 2-Cyanophenyl cyclopentyl ketone?
The molecular weight of 2-Cyanophenyl cyclopentyl ketone is 199.25 g/mol.
When was 2-Cyanophenyl cyclopentyl ketone first created?
2-Cyanophenyl cyclopentyl ketone was first created on February 29, 2008.
What is the IUPAC Name of 2-Cyanophenyl cyclopentyl ketone?
The IUPAC Name of 2-Cyanophenyl cyclopentyl ketone is 2-(cyclopentanecarbonyl)benzonitrile.
What is the InChIKey of 2-Cyanophenyl cyclopentyl ketone?
The InChIKey of 2-Cyanophenyl cyclopentyl ketone is GBEFWVXZZRTNFV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Cyanophenyl cyclopentyl ketone have?
2-Cyanophenyl cyclopentyl ketone has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-Cyanophenyl cyclopentyl ketone?
The topological polar surface area of 2-Cyanophenyl cyclopentyl ketone is 40.9 Ų.
Is 2-Cyanophenyl cyclopentyl ketone a canonicalized compound?
Yes, 2-Cyanophenyl cyclopentyl ketone is a canonicalized compound.
What is the exact mass of 2-Cyanophenyl cyclopentyl ketone?
The exact mass of 2-Cyanophenyl cyclopentyl ketone is 199.099714038 g/mol.
How many rotatable bond counts does 2-Cyanophenyl cyclopentyl ketone have?
2-Cyanophenyl cyclopentyl ketone has 2 rotatable bond counts.
What is the complexity value of 2-Cyanophenyl cyclopentyl ketone?
The complexity value of 2-Cyanophenyl cyclopentyl ketone is 282.
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