Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-


Chemical Name: Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
CAS Number: 1421-49-4
Product Number: AG001HS9(AGN-PC-0JKC1H)
Synonyms:
MDL No:
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
MP:
206-209 °C
BP:
340.6 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5600 (estimate)
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
250.157g/mol
Monoisotopic Mass:
250.157g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
285
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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