CAS
898792-35-3 Purity
96%
898792-35-3 Purity
96%
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Cyclobutyl 3-(morpholinomethyl)phenyl ketone
CAS
898792-38-6
Catalog Number
ACM898792386
Category
Other Products
Molecular Weight
259.34
Molecular Formula
C16H21NO2
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Specification
Synonyms
CYCLOBUTYL 3-(MORPHOLINOMETHYL)PHENYL KETONE
IUPAC Name
cyclobutyl-[3-(morpholin-4-ylmethyl)phenyl]methanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=CC=C2)CN3CCOCC3
InChI Key
PVOVNBZTMYSOKM-UHFFFAOYSA-N
Boiling Point
394.9ºC at 760 mmHg
Flash Point
192.6ºC
Density
1.15g/cm³
Exact Mass
259.15700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The molecular formula is C16H21NO2.
What is the molecular weight of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The molecular weight is 259.34 g/mol.
What is the IUPAC name of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The IUPAC name is cyclobutyl-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the InChI of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The InChI is InChI=1S/C16H21NO2/c18-16(14-4-2-5-14)15-6-1-3-13(11-15)12-17-7-9-19-10-8-17/h1,3,6,11,14H,2,4-5,7-10,12H2.
What is the Canonical SMILES of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The Canonical SMILES is C1CC(C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3.
What is the CAS number of Cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The CAS number is 898792-38-6.
What is the XLogP3-AA value of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The XLogP3-AA value is 2.1.
How many hydrogen bond donor counts does cyclobutyl 3-(morpholinomethyl)phenyl ketone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of cyclobutyl 3-(morpholinomethyl)phenyl ketone?
The topological polar surface area is 29.5 Ų.
Is cyclobutyl 3-(morpholinomethyl)phenyl ketone considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
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