Benzoic acid, 2-methylpropyl ester


Chemical Name: Benzoic acid, 2-methylpropyl ester
CAS Number: 120-50-3
Product Number: AG000Q0U(AGN-PC-0JL48W)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Properties
BP:
242.0°C
Form:
Liquid
Refractive Index:
n20/D 1.495(lit.)
Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
158
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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