CAS
898790-73-3 Purity
96%
898790-73-3 Purity
96%
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Cyclobutyl 3,4-dimethylphenyl ketone
CAS
898790-76-6
Catalog Number
ACM898790766
Category
Other Products
Molecular Weight
188.27
Molecular Formula
C13H16O
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Specification
Synonyms
CYCLOBUTYL 3,4-DIMETHYLPHENYL KETONE;UKRORGSYN-BB BBV-5122483
IUPAC Name
cyclobutyl-(3,4-dimethylphenyl)methanone
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)C2CCC2)C
InChI Key
GCJOQYCUFPVCMQ-UHFFFAOYSA-N
Boiling Point
307.9ºC at 760 mmHg
Flash Point
130ºC
Density
1.042g/cm³
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 3,4-dimethylphenyl ketone?
The molecular formula is C13H16O.
When was Cyclobutyl 3,4-dimethylphenyl ketone created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Cyclobutyl 3,4-dimethylphenyl ketone?
The IUPAC name is cyclobutyl-(3,4-dimethylphenyl)methanone.
What is the InChIKey of Cyclobutyl 3,4-dimethylphenyl ketone?
The InChIKey is GCJOQYCUFPVCMQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Cyclobutyl 3,4-dimethylphenyl ketone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of Cyclobutyl 3,4-dimethylphenyl ketone?
The topological polar surface area is 17.1 Ų.
How many heavy atoms are present in Cyclobutyl 3,4-dimethylphenyl ketone?
There are 14 heavy atoms present.
Is Cyclobutyl 3,4-dimethylphenyl ketone a canonicalized compound?
Yes, it is canonicalized.
What is the XLogP3-AA value of Cyclobutyl 3,4-dimethylphenyl ketone?
The XLogP3-AA value is 3.3.
What is the exact mass of Cyclobutyl 3,4-dimethylphenyl ketone?
The exact mass is 188.120115130 g/mol.
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