Benzoic acid, 5-acetyl-2-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 5-acetyl-2-hydroxy-, methyl ester
CAS Number: 16475-90-4
Product Number: AG001V3E(AGN-PC-0JLVP0)
Synonyms:
MDL No:
Molecular Formula: C10H10O4
Molecular Weight: 194.1840

Identification/Properties


Properties
MP:
62-64 °C(lit.)
BP:
345.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5168 (estimate)
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
194.186g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
194.058g/mol
Monoisotopic Mass:
194.058g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
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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