[Acetyl(4-fluorophenyl)]acetic acid

CAS
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CAS
93962-54-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM93962540

Product Name

[Acetyl(4-fluorophenyl)]acetic acid

Structure

Structure

CAS

93962-54-0

Category

Heterocyclic Organic Compound

Synonyms

EINECS 300-690-6, (Acetyl(4-fluorophenyl))acetic acid, 93962-54-0

IUPAC Name

2-(2-acetyl-4-fluorophenyl)acetic acid

Molecular Weight

196.175063

Molecular Formula

C₁₀H₉FO₃

Canonical SMILES

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

InChI Key

KBYHPVYZMBZBDV-UHFFFAOYSA-N

Boiling Point

304.6±32.0 °C (760 mmHg)

Density

1.290±0.06 g/cm³ (20 °C, 760 mmHg)

EC Number

300-690-6

Exact Mass

196.05400

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of [Acetyl(4-fluorophenyl)]acetic acid?

The molecular formula is C10H9FO3.

When was [Acetyl(4-fluorophenyl)]acetic acid created and last modified in PubChem?

It was created on 2009-08-20 and last modified on 2023-12-30.

What is the IUPAC name of [Acetyl(4-fluorophenyl)]acetic acid?

The IUPAC name is 2-(2-acetyl-4-fluorophenyl)acetic acid.

What is the InChI of [Acetyl(4-fluorophenyl)]acetic acid?

The InChI is InChI=1S/C10H9FO3/c1-6(12)9-5-8(11)3-2-7(9)4-10(13)14/h2-3,5H,4H2,1H3,(H,13,14).

What is the InChIKey of [Acetyl(4-fluorophenyl)]acetic acid?

The InChIKey is KBYHPVYZMBZBDV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does [Acetyl(4-fluorophenyl)]acetic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of [Acetyl(4-fluorophenyl)]acetic acid?

The topological polar surface area is 54.4 Å^2.

Does [Acetyl(4-fluorophenyl)]acetic acid have any isotope atom count?

No, it has 0 isotope atom count.

How many rotatable bond counts does [Acetyl(4-fluorophenyl)]acetic acid have?

It has 3 rotatable bond counts.

Is [Acetyl(4-fluorophenyl)]acetic acid a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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