Benzoic acid, 3-hydroxy-, ethyl ester


Chemical Name: Benzoic acid, 3-hydroxy-, ethyl ester
CAS Number: 7781-98-8
Product Number: AG003Q7V(AGN-PC-0JKHOJ)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Properties
MP:
71-73 °C
BP:
295.7 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5286 (estimate)
Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
156
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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