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Structure

3-(4-fluorophenyl)propionic acid

CAS
459-31-4
Catalog Number
ACM459314
Category
Other Products
Molecular Weight
168.16
Molecular Formula
C9H9O2F

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Specification

Synonyms
3-(4-Fluorophenyl)propionic acid, TimTec1_000950, 3-(4-Fluorophenyl)propanoic acid, 560502_ALDRICH, NSC403021, CID136302, 4-(4-Fluorophenyl)-4-oxobutyric acid, NCGC00174948-01, ST012421, 459-31-4
IUPAC Name
3-(4-fluorophenyl)propanoic acid
Canonical SMILES
C1=CC(=CC=C1CCC(=O)O)F
InChI Key
ZMKXWDPUXLPHCA-UHFFFAOYSA-N
Boiling Point
278.9ºC at 760 mmHg
Melting Point
86-91ºC
Flash Point
122.5ºC
Density
1.222 g/cm³
Appearance
white to off-white crystalline powder or crystals
Exact Mass
168.05900
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
S26-S37/39
WGK Germany
3
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