Benzoic acid, 4-hydroxy-3,5-dimethyl-


Chemical Name: Benzoic acid, 4-hydroxy-3,5-dimethyl-
CAS Number: 4919-37-3
Product Number: AG003LHN(AGN-PC-0JMQ39)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Properties
MP:
221-226 °C
BP:
331.3 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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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