7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid

CAS
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CAS
898791-01-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898791010

Product Name

7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid

Structure

Structure

CAS

898791-01-0

Category

Heterocyclic Organic Compound

Synonyms

7-OXO-7-(2-TRIFLUOROMETHYLPHENYL)HEPTANOIC ACID, 898791-01-0, AG-H-67058, CTK5G6759, AKOS016022784, KB-200124

IUPAC Name

7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoic acid

Molecular Weight

288.26905

Molecular Formula

C₁₄H₁₅F₃O₃

Canonical SMILES

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

InChI Key

VFXIIKTWIBQFQS-UHFFFAOYSA-N

Boiling Point

408.4ºC at 760 mmHg

Flash Point

200.8ºC

Density

1.244g/cm³

Exact Mass

288.09700

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?

The molecular formula is C14H15F3O3.

When was 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid first created?

It was first created on February 29, 2008.

What is the molecular weight of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?

The molecular weight is 288.26 g/mol.

How is the IUPAC Name of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid represented?

The IUPAC Name is 7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoic acid.

What is the InChI of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?

The InChI is InChI=1S/C14H15F3O3/c15-14(16,17)11-7-5-4-6-10(11)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9H2,(H,19,20).

How many hydrogen bond donor counts does 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid have?

It has 1 hydrogen bond donor count.

What is the xLogP3-AA value of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?

The xLogP3-AA value is 3.2.

How many rotatable bond counts does 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid have?

It has 7 rotatable bond counts.

What is the topological polar surface area of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?

The topological polar surface area is 54.4 Å2.

Is 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid considered to be a canonicalized compound?

Yes, it is considered a canonicalized compound.

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