Ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate

CAS
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CAS
898793-15-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898793152

Product Name

Ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate

Structure

Structure

CAS

898793-15-2

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 8-(3,4-DIMETHYLPHENYL)-8-OXOOCTANOATE

IUPAC Name

ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate

Molecular Weight

290.4

Molecular Formula

C₁₈H₂₆O₃

Canonical SMILES

CCOC(=O)CCCCCCC(=O)C1=CC(=C(C=C1)C)C

InChI Key

ZAYSXCIHFYBBDE-UHFFFAOYSA-N

Boiling Point

410.4ºC at 760 mmHg

Flash Point

177.9ºC

Density

1.004g/cm³

Exact Mass

290.18800

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

The molecular formula is C18H26O3.

What is the molecular weight of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

The molecular weight is 290.4 g/mol.

When was ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate created and modified in PubChem?

It was created on February 29, 2008, and modified on December 30, 2023.

What is the IUPAC name of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

The IUPAC name is ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate.

What is the InChI of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

InChI=1S/C18H26O3/c1-4-21-18(20)10-8-6-5-7-9-17(19)16-12-11-14(2)15(3)13-16/h11-13H,4-10H2,1-3H3.

What is the InChIKey of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

The InChIKey is ZAYSXCIHFYBBDE-UHFFFAOYSA-N.

What is the canonical SMILES representation of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

CCOC(=O)CCCCCCC(=O)C1=CC(=C(C=C1)C)C.

How many hydrogen bond acceptors does ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate have?

It has 3 hydrogen bond acceptors.

What is the XLogP3-AA value of ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate?

The XLogP3-AA value is 4.3.

Is ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate a canonicalized compound in PubChem?

Yes, ethyl 8-(3,4-dimethylphenyl)-8-oxooctanoate is a canonicalized compound in PubChem.

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