CAS
898790-76-6 Purity
96%
898790-76-6 Purity
96%
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Cyclobutyl 3,5-dimethylphenyl ketone
CAS
898790-79-9
Catalog Number
ACM898790799
Category
Other Products
Molecular Weight
188.27
Molecular Formula
C13H16O
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Specification
Synonyms
CYCLOBUTYL 3,5-DIMETHYLPHENYL KETONE
IUPAC Name
cyclobutyl-(3,5-dimethylphenyl)methanone
Canonical SMILES
CC1=CC(=CC(=C1)C(=O)C2CCC2)C
InChI Key
ANELQVVZWRFILR-UHFFFAOYSA-N
Boiling Point
303.4ºC at 760 mmHg
Flash Point
127.6ºC
Density
1.042g/cm³
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of cyclobutyl 3,5-dimethylphenyl ketone?
The molecular formula is C13H16O.
What is the molecular weight of cyclobutyl 3,5-dimethylphenyl ketone?
The molecular weight is 188.26 g/mol.
When was cyclobutyl 3,5-dimethylphenyl ketone created in PubChem?
It was created on 2008-02-29.
What is the IUPAC name of cyclobutyl 3,5-dimethylphenyl ketone?
The IUPAC name is cyclobutyl-(3,5-dimethylphenyl)methanone.
What is the InChIKey of cyclobutyl 3,5-dimethylphenyl ketone?
The InChIKey is ANELQVVZWRFILR-UHFFFAOYSA-N.
How many hydrogen bond donor counts does cyclobutyl 3,5-dimethylphenyl ketone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of cyclobutyl 3,5-dimethylphenyl ketone?
The topological polar surface area is 17.1 Å2.
How many rotatable bond counts does cyclobutyl 3,5-dimethylphenyl ketone have?
It has 2 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the XLogP3-AA value of cyclobutyl 3,5-dimethylphenyl ketone?
The XLogP3-AA value is 3.3.
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