CAS
898790-67-5 Purity
96%
898790-67-5 Purity
96%
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Cyclobutyl 2,5-dimethylphenyl ketone
CAS
898790-70-0
Catalog Number
ACM898790700
Category
Other Products
Molecular Weight
188.27
Molecular Formula
C13H16O
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Specification
Synonyms
CYCLOBUTYL 2,5-DIMETHYLPHENYL KETONE;UKRORGSYN-BB BBV-5116365
IUPAC Name
cyclobutyl-(2,5-dimethylphenyl)methanone
Canonical SMILES
CC1=CC(=C(C=C1)C)C(=O)C2CCC2
InChI Key
YNFYWQWJVBKDNU-UHFFFAOYSA-N
Boiling Point
296.7ºC at 760 mmHg
Flash Point
123.8ºC
Density
1.042g/cm³
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 2,5-dimethylphenyl ketone?
The molecular formula of Cyclobutyl 2,5-dimethylphenyl ketone is C13H16O.
When was Cyclobutyl 2,5-dimethylphenyl ketone created in PubChem?
Cyclobutyl 2,5-dimethylphenyl ketone was created in PubChem on February 29, 2008.
What is the molecular weight of Cyclobutyl 2,5-dimethylphenyl ketone?
The molecular weight of Cyclobutyl 2,5-dimethylphenyl ketone is 188.26 g/mol.
What is the IUPAC name of Cyclobutyl 2,5-dimethylphenyl ketone?
The IUPAC name of Cyclobutyl 2,5-dimethylphenyl ketone is cyclobutyl-(2,5-dimethylphenyl)methanone.
What is the InChIKey of Cyclobutyl 2,5-dimethylphenyl ketone?
The InChIKey of Cyclobutyl 2,5-dimethylphenyl ketone is YNFYWQWJVBKDNU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Cyclobutyl 2,5-dimethylphenyl ketone have?
Cyclobutyl 2,5-dimethylphenyl ketone has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of Cyclobutyl 2,5-dimethylphenyl ketone?
The XLogP3-AA value of Cyclobutyl 2,5-dimethylphenyl ketone is 3.3.
Does Cyclobutyl 2,5-dimethylphenyl ketone have any defined atom stereocenter count?
No, Cyclobutyl 2,5-dimethylphenyl ketone has 0 defined atom stereocenter counts.
What is the topological polar surface area of Cyclobutyl 2,5-dimethylphenyl ketone?
The topological polar surface area of Cyclobutyl 2,5-dimethylphenyl ketone is 17.1 Ų.
Is Cyclobutyl 2,5-dimethylphenyl ketone the canonicalized compound?
Yes, Cyclobutyl 2,5-dimethylphenyl ketone is the canonicalized compound according to PubChem.
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