7-(4-Hexylphenyl)-7-oxoheptanoic acid

CAS
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CAS
898791-55-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898791554

Product Name

7-(4-Hexylphenyl)-7-oxoheptanoic acid

Structure

Structure

CAS

898791-55-4

Category

Heterocyclic Organic Compound

Synonyms

7-(4-HEXYLPHENYL)-7-OXOHEPTANOIC ACID

IUPAC Name

7-(4-hexylphenyl)-7-oxoheptanoic acid

Molecular Weight

304.42

Molecular Formula

C₁₉H₂₈O₃

Canonical SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)O

InChI Key

NHUDEAWYSONOST-UHFFFAOYSA-N

Boiling Point

478ºC at 760 mmHg

Flash Point

257ºC

Density

1.025g/cm³

Exact Mass

304.20400

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?

The molecular formula is C19H28O3.

When was the compound first created?

The compound was first created on February 29, 2008.

What is the molecular weight of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?

The molecular weight is 304.4 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is 7-(4-hexylphenyl)-7-oxoheptanoic acid.

What is the Canonical SMILES of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?

The Canonical SMILES is CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)O.

What is the InChIKey of the compound?

The InChIKey is NHUDEAWYSONOST-UHFFFAOYSA-N.

How many Hydrogen Bond Donor Counts does the compound have?

The compound has 1 Hydrogen Bond Donor Count.

What is the XLogP3-AA value of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?

The XLogP3-AA value is 5.3.

What is the Exact Mass of the compound?

The Exact Mass is 304.20384475 g/mol.

Is 7-(4-Hexylphenyl)-7-oxoheptanoic acid considered a canonical compound?

Yes, the compound is considered canonicalized.

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