2-Carboethoxyphenyl cyclobutyl ketone

CAS
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Purity
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CAS
898790-52-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898790528

Product Name

2-Carboethoxyphenyl cyclobutyl ketone

Structure

Structure

CAS

898790-52-8

Category

Heterocyclic Organic Compound

Synonyms

2-Carboethoxyphenyl cyclobutyl ketone, 898790-52-8, CTK5G6715, AKOS016019971, AG-H-67009, KB-169218

IUPAC Name

ethyl 2-(cyclobutanecarbonyl)benzoate

Molecular Weight

232.28182

Molecular Formula

C₁₄H₁₆O₃

Canonical SMILES

CCOC(=O)C1=CC=CC=C1C(=O)C2CCC2

InChI Key

QCTFLWVWPZRPSP-UHFFFAOYSA-N

Boiling Point

359.9ºC at 760 mmHg

Flash Point

158.8ºC

Density

1.147g/cm³

Exact Mass

232.11000

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Carboethoxyphenyl cyclobutyl ketone?

The molecular formula is C14H16O3.

When was 2-Carboethoxyphenyl cyclobutyl ketone created and last modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of 2-Carboethoxyphenyl cyclobutyl ketone?

The IUPAC name is ethyl 2-(cyclobutanecarbonyl)benzoate.

What is the InChI of 2-Carboethoxyphenyl cyclobutyl ketone?

The InChI is InChI=1S/C14H16O3/c1-2-17-14(16)12-9-4-3-8-11(12)13(15)10-6-5-7-10/h3-4,8-10H,2,5-7H2,1H3.

What is the InChIKey of 2-Carboethoxyphenyl cyclobutyl ketone?

The InChIKey is QCTFLWVWPZRPSP-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Carboethoxyphenyl cyclobutyl ketone?

The canonical SMILES is CCOC(=O)C1=CC=CC=C1C(=O)C2CCC2.

What is the molecular weight of 2-Carboethoxyphenyl cyclobutyl ketone?

The molecular weight is 232.27 g/mol.

What is the XLogP3-AA value of 2-Carboethoxyphenyl cyclobutyl ketone?

The XLogP3-AA value is 2.8.

How many hydrogen bond acceptors are present in 2-Carboethoxyphenyl cyclobutyl ketone?

There are 3 hydrogen bond acceptors.

Is 2-Carboethoxyphenyl cyclobutyl ketone a canonicalized compound?

Yes, it is a canonicalized compound.

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