CAS
898792-41-1 Purity
96%
898792-41-1 Purity
96%
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Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate
CAS
898792-44-4
Catalog Number
ACM898792444
Category
Other Products
Molecular Weight
305.37
Molecular Formula
C17H23NO4
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Specification
Synonyms
ETHYL 4-[3-(MORPHOLINOMETHYL)PHENYL]-4-OXOBUTYRATE
IUPAC Name
ethyl 4-[3-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
Canonical SMILES
CCOC(=O)CCC(=O)C1=CC(=CC=C1)CN2CCOCC2
InChI Key
REEIZVUHKJZQFP-UHFFFAOYSA-N
Boiling Point
449ºC at 760 mmHg
Flash Point
225.3ºC
Density
1.139g/cm³
Exact Mass
305.16300
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The molecular formula is C17H23NO4.
When was Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate 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 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The IUPAC name is ethyl 4-[3-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate.
What is the InChI of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The InChI is InChI=1S/C17H23NO4/c1-2-22-17(20)7-6-16(19)15-5-3-4-14(12-15)13-18-8-10-21-11-9-18/h3-5,12H,2,6-11,13H2,1H3.
What is the InChIKey of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The InChIKey is REEIZVUHKJZQFP-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The Canonical SMILES is CCOC(=O)CCC(=O)C1=CC=CC(=C1)CN2CCOCC2.
What is the molecular weight of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The molecular weight is 305.4 g/mol.
What is the XLogP3-AA value of Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
The XLogP3-AA value is 1.2.
How many hydrogen bond acceptors are there in Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate?
There are 5 hydrogen bond acceptors.
Is Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
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