CAS
93960-22-6 Purity
98 %
93960-22-6 Purity
98 %
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[Acetyl(4-fluorophenyl)]acetic acid
CAS
93962-54-0
Catalog Number
ACM93962540
Category
Other Products
Molecular Weight
196.175063
Molecular Formula
C10H9FO3
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Specification
Synonyms
EINECS 300-690-6, (Acetyl(4-fluorophenyl))acetic acid, 93962-54-0
IUPAC Name
2-(2-acetyl-4-fluorophenyl)acetic acid
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
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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