Benzeneacetonitrile, 4-hydroxy-


Chemical Name: Benzeneacetonitrile, 4-hydroxy-
CAS Number: 14191-95-8
Product Number: AG001HD8(AGN-PC-0JKIVT)
Synonyms:
MDL No: MFCD00002383
Molecular Formula: C8H7NO
Molecular Weight: 133.1473

Identification/Properties


Properties
MP:
67-70 °C
BP:
330 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5260 (estimate)
Computed Properties
Molecular Weight:
133.15g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
133.053g/mol
Monoisotopic Mass:
133.053g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
139
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+H312+H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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