Benzoic acid, 4-pentyl-


Chemical Name: Benzoic acid, 4-pentyl-
CAS Number: 26311-45-5
Product Number: AG002SNP(AGN-PC-0JKN6M)
Synonyms:
MDL No:
Molecular Formula: C12H16O2
Molecular Weight: 192.2542

Identification/Properties


Properties
MP:
85-90 °C
BP:
304.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5207 (estimate)
Computed Properties
Molecular Weight:
192.258g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
192.115g/mol
Monoisotopic Mass:
192.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
169
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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