CAS
898793-77-6 Purity
96%
898793-77-6 Purity
96%
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Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate
CAS
898793-80-1
Catalog Number
ACM898793801
Category
Other Products
Molecular Weight
331.45
Molecular Formula
C20H29NO3
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Specification
Synonyms
ETHYL 6-OXO-6-[3-(PIPERIDINOMETHYL)PHENYL]HEXANOATE
IUPAC Name
ethyl 6-oxo-6-[3-(piperidin-1-ylmethyl)phenyl]hexanoate
Canonical SMILES
CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)CN2CCCCC2
InChI Key
BKAKRYBRVKYGPD-UHFFFAOYSA-N
Boiling Point
453.2ºC at 760 mmHg
Flash Point
227.9ºC
Density
1.069g/cm³
Exact Mass
331.21500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The molecular formula of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate is C20H29NO3.
When was Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The IUPAC name is ethyl 6-oxo-6-[3-(piperidin-1-ylmethyl)phenyl]hexanoate.
What is the InChIKey of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The InChIKey is BKAKRYBRVKYGPD-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The Canonical SMILES is CCOC(=O)CCCCC(=O)C1=CC=CC(=C1)CN2CCCCC2.
What is the molecular weight of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The molecular weight is 331.4 g/mol.
How many hydrogen bond acceptor counts does Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate?
The topological polar surface area is 46.6 ?2.
How many rotatable bond counts does Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate have?
It has 10 rotatable bond counts.
Is Ethyl 6-oxo-6-[3-(piperidinomethyl)phenyl]hexanoate the canonicalized compound?
Yes, it is canonicalized.
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