Benzoic acid, 4-(pentyloxy)-


Chemical Name: Benzoic acid, 4-(pentyloxy)-
CAS Number: 15872-41-0
Product Number: AG001QS3(AGN-PC-0JLVIL)
Synonyms:
MDL No:
Molecular Formula: C12H16O3
Molecular Weight: 208.2536

Identification/Properties


Properties
MP:
126-128 °C(lit.)
BP:
333.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5000 (estimate)
Computed Properties
Molecular Weight:
208.257g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
208.11g/mol
Monoisotopic Mass:
208.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
183
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


NMR Spectrum


Other Analytical Data


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