2-Isobutylbenzene-1,4-diol


Chemical Name: 2-Isobutylbenzene-1,4-diol
CAS Number: 4197-78-8
Product Number: AG003ESD(AGN-PC-0WAM1I)
Synonyms:
MDL No: MFCD24714910
Molecular Formula: C10H14O2
Molecular Weight: 166.2170

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
166.22g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
166.099g/mol
Monoisotopic Mass:
166.099g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
134
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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