CAS
898793-82-3 Purity
96%
898793-82-3 Purity
96%
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Ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate
CAS
898793-85-6
Catalog Number
ACM898793856
Category
Other Products
Molecular Weight
359.5
Molecular Formula
C22H33NO3
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Specification
Synonyms
ETHYL 8-OXO-8-[3-(PIPERIDINOMETHYL)PHENYL]OCTANOATE
IUPAC Name
ethyl 8-oxo-8-[3-(piperidin-1-ylmethyl)phenyl]octanoate
Canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=CC(=CC=C1)CN2CCCCC2
InChI Key
DVWNYXBFGIEPOF-UHFFFAOYSA-N
Boiling Point
478.1ºC at 760 mmHg
Flash Point
243ºC
Density
1.048g/cm³
Exact Mass
359.24600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
The molecular formula is C22H33NO3.
When was ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate created?
It was created on February 29, 2008.
What is the InChIKey of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
The InChIKey is DVWNYXBFGIEPOF-UHFFFAOYSA-N.
How many hydrogen bond acceptors does ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
The topological polar surface area is 46.6 Ų.
What is the XLogP3-AA value of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
The XLogP3-AA value is 4.2.
Does ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
How many heavy atoms are present in the molecular structure of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
There are 26 heavy atoms in the structure.
What is the molecular weight of ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate?
The molecular weight is 359.5 g/mol.
Is ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate considered to be a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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