2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile


Chemical Name: 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
CAS Number: 93413-76-4
Product Number: AG0032B9(AGN-PC-0WAJL2)
Synonyms:
MDL No:
Molecular Formula: C15H19NO2
Molecular Weight: 245.3169

Identification/Properties


Properties
MP:
121-123°C
BP:
410.146 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.322g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
245.142g/mol
Monoisotopic Mass:
245.142g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
306
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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