Ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate

CAS

898792-50-2

Catalog Number

ACM898792502

Category

Other Products

Molecular Weight

347.45

Molecular Formula

C₂₀H₂₉NO₄

MSDS COA Spec Sheet

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Specification

Synonyms

ETHYL 7-[3-(MORPHOLINOMETHYL)PHENYL]-7-OXOHEPTANOATE

IUPAC Name

ethyl 7-[3-(morpholin-4-ylmethyl)phenyl]-7-oxoheptanoate

Canonical SMILES

CCOC(=O)CCCCCC(=O)C1=CC(=CC=C1)CN2CCOCC2

InChI Key

CRESNUNBHUWNJA-UHFFFAOYSA-N

Boiling Point

473.2ºC at 760 mmHg

Flash Point

240ºC

Density

1.094g/cm³

Exact Mass

347.21000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The molecular formula of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is C20H29NO4.

What is the molecular weight of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The molecular weight of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is 347.4 g/mol.

When was ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate created and last modified?

Ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The IUPAC name of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is ethyl 7-[3-(morpholin-4-ylmethyl)phenyl]-7-oxoheptanoate.

What is the Canonical SMILES representation of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The Canonical SMILES representation of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is CCOC(=O)CCCCCC(=O)C1=CC=CC(=C1)CN2CCOCC2.

What is the InChIKey of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The InChIKey of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is CRESNUNBHUWNJA-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

There are 5 hydrogen bond acceptors in ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate.

What is the topological polar surface area of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

The topological polar surface area of ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is 55.8 Å².

How many rotatable bonds are present in ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate?

There are 11 rotatable bonds in ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate.

Is ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate the canonicalized compound?

Yes, ethyl 7-[3-(morpholinomethyl)phenyl]-7-oxoheptanoate is the canonicalized compound.