Benzoic acid, 4-(acetyloxy)-


Chemical Name: Benzoic acid, 4-(acetyloxy)-
CAS Number: 2345-34-8
Product Number: AG002NA4(AGN-PC-0JKD4W)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
MP:
190-194 °C(lit.);
BP:
325.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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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