Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate

CAS
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CAS
898792-44-4
Size
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Purity
96%
Price
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Catalog Number

ACM898792444

Product Name

Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate

Structure

Structure

CAS

898792-44-4

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 4-[3-(MORPHOLINOMETHYL)PHENYL]-4-OXOBUTYRATE

IUPAC Name

ethyl 4-[3-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate

Molecular Weight

305.37

Molecular Formula

C₁₇H₂₃NO₄

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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