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


Chemical Name: Benzoic acid, 3,5-bis(1,1-dimethylethyl)hydroxy-
CAS Number: 19715-19-6
Product Number: AG002AMD(AGN-PC-0JLXA0)
Synonyms:
MDL No: MFCD00059058
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
MP:
157-162 °C(lit.)
BP:
428.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
6.6
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:
309
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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