CAS
898791-51-0 Purity
96%
898791-51-0 Purity
96%
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Cyclopentyl 3,4-dimethylphenyl ketone
CAS
898791-54-3
Catalog Number
ACM898791543
Category
Other Products
Molecular Weight
202.29
Molecular Formula
C14H18O
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Specification
Synonyms
CYCLOPENTYL 3,4-DIMETHYLPHENYL KETONE;CYCLOPENTYL(3,4-DIMETHYLPHENYL)METHANONE;OTAVA-BB 1044111
IUPAC Name
cyclopentyl-(3,4-dimethylphenyl)methanone
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)C2CCCC2)C
InChI Key
AQHKHGNZZBVTMN-UHFFFAOYSA-N
Boiling Point
325.3ºC at 760 mmHg
Flash Point
138.3ºC
Density
1.02g/cm³
Exact Mass
202.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 3,4-dimethylphenyl ketone?
The molecular formula of Cyclopentyl 3,4-dimethylphenyl ketone is C14H18O.
When was Cyclopentyl 3,4-dimethylphenyl ketone created in PubChem CID?
Cyclopentyl 3,4-dimethylphenyl ketone was created in PubChem CID on February 29, 2008.
What is the molecular weight of Cyclopentyl 3,4-dimethylphenyl ketone?
The molecular weight of Cyclopentyl 3,4-dimethylphenyl ketone is 202.29 g/mol.
What is the IUPAC name of Cyclopentyl 3,4-dimethylphenyl ketone?
The IUPAC name of Cyclopentyl 3,4-dimethylphenyl ketone is cyclopentyl-(3,4-dimethylphenyl)methanone.
What is the Canonical SMILES of Cyclopentyl 3,4-dimethylphenyl ketone?
The Canonical SMILES of Cyclopentyl 3,4-dimethylphenyl ketone is CC1=C(C=C(C=C1)C(=O)C2CCCC2)C.
What is the InChIKey of Cyclopentyl 3,4-dimethylphenyl ketone?
The InChIKey of Cyclopentyl 3,4-dimethylphenyl ketone is AQHKHGNZZBVTMN-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Cyclopentyl 3,4-dimethylphenyl ketone have?
Cyclopentyl 3,4-dimethylphenyl ketone has 1 hydrogen bond acceptor count.
What is the topological polar surface area of Cyclopentyl 3,4-dimethylphenyl ketone?
The topological polar surface area of Cyclopentyl 3,4-dimethylphenyl ketone is 17.1 Ų.
Is Cyclopentyl 3,4-dimethylphenyl ketone a canonicalized compound?
Yes, Cyclopentyl 3,4-dimethylphenyl ketone is a canonicalized compound.
What is the XLogP3-AA value of Cyclopentyl 3,4-dimethylphenyl ketone?
The XLogP3-AA value of Cyclopentyl 3,4-dimethylphenyl ketone is 3.9.
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