3-(3-FLUOROPHENYL)PROPIONIC ACID


Chemical Name: 3-(3-FLUOROPHENYL)PROPIONIC ACID
CAS Number: 458-45-7
Product Number: AG003BA4(AGN-PC-0WA7B3)
Synonyms:
MDL No:
Molecular Formula: C9H9FO2
Molecular Weight: 168.1650

Identification/Properties


Properties
MP:
43-47 °C(lit.)
BP:
270.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.167g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.059g/mol
Monoisotopic Mass:
168.059g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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