7-(4-t-Butylphenyl)-7-oxoheptanoic acid

CAS
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CAS
898791-45-2
Size
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Purity
96%
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Availability
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Catalog Number

ACM898791452

Product Name

7-(4-t-Butylphenyl)-7-oxoheptanoic acid

Structure

Structure

CAS

898791-45-2

Category

Heterocyclic Organic Compound

Synonyms

7-(4-T-BUTYLPHENYL)-7-OXOHEPTANOIC ACID

IUPAC Name

7-(4-tert-butylphenyl)-7-oxoheptanoic acid

Molecular Weight

276.37

Molecular Formula

C₁₇H₂₄O₃

Canonical SMILES

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

InChI Key

WADGTQNUTOISTD-UHFFFAOYSA-N

Boiling Point

442.7ºC at 760 mmHg

Flash Point

235.7ºC

Density

1.043g/cm³

Exact Mass

276.17300

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

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

The molecular formula is C17H24O3.

When was 7-(4-t-Butylphenyl)-7-oxoheptanoic acid created?

It was created on February 29, 2008.

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

The molecular weight is 276.4 g/mol.

What is the IUPAC name of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?

The IUPAC name is 7-(4-tert-butylphenyl)-7-oxoheptanoic acid.

What is the InChI key of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?

The InChI key is WADGTQNUTOISTD-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 7-(4-t-Butylphenyl)-7-oxoheptanoic acid have?

It has 3 hydrogen bond acceptors.

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

The XLogP3-AA value is 4.

What is the exact mass of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?

The exact mass is 276.17254462 g/mol.

How many rotatable bond counts does 7-(4-t-Butylphenyl)-7-oxoheptanoic acid have?

It has 8 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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