Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-


Chemical Name: Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-
CAS Number: 16094-31-8
Product Number: AG001VIL(AGN-PC-0JLVL9)
Synonyms:
MDL No: MFCD00156971
Molecular Formula: C11H14O3
Molecular Weight: 194.2271

Identification/Properties


Properties
BP:
324.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
194.23g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
194.094g/mol
Monoisotopic Mass:
194.094g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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