Benzoic acid, 4-acetyl-, ethyl ester


Chemical Name: Benzoic acid, 4-acetyl-, ethyl ester
CAS Number: 38430-55-6
Product Number: AG003Q9N(AGN-PC-0JTL83)
Synonyms:
MDL No: MFCD00013241
Molecular Formula: C11H12O3
Molecular Weight: 192.2112

Identification/Properties


Properties
MP:
55-57 °C(lit.);
BP:
310°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
192.214g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
192.079g/mol
Monoisotopic Mass:
192.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
215
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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