4-(3-FLUORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID


Chemical Name: 4-(3-FLUORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
CAS Number: 919016-93-6
Product Number: AG00GSS5(AGN-PC-015OC6)
Synonyms:
MDL No:
Molecular Formula: C12H13FO3
Molecular Weight: 224.2282

Identification/Properties


Computed Properties
Molecular Weight:
224.231g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
224.085g/mol
Monoisotopic Mass:
224.085g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
261
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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