4-Hydroxy-3,5-dimethylbenzonitrile


Chemical Name: 4-Hydroxy-3,5-dimethylbenzonitrile
CAS Number: 4198-90-7
Product Number: AG003IOK(AGN-PC-0WAAGZ)
Synonyms:
MDL No:
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties


Properties
MP:
123-127 °C
BP:
310.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
147.068g/mol
Monoisotopic Mass:
147.068g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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+H312+H332-H315-H319
Precautionary Statements:
P261-P264-P280-P337+P313-P302+P352+P312-P304+P340+P312
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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