3-(3-hydroxyphenyl)benzonitrile


Chemical Name: 3-(3-hydroxyphenyl)benzonitrile
CAS Number: 154848-43-8
Product Number: AG003JJ2(AGN-PC-0KZXX9)
Synonyms:
MDL No:
Molecular Formula: C13H9NO
Molecular Weight: 195.2167

Identification/Properties


Properties
MP:
105-109°C(lit.);
BP:
401.4°C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
195.221g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
195.068g/mol
Monoisotopic Mass:
195.068g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
255
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:
Danger
UN#:
3077
Hazard Statements:
H302-H312-H318-H332-H411
Precautionary Statements:
P273-P280-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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