Name: 3-HYDROXY-3-PHENYL-PROPIONITRILE
SKU: 17190-29-3

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Basic Information

Molecular Structure:
CAS No.:	17190-29-3
Name:	3-HYDROXY-3-PHENYL-PROPIONITRILE
Article Data:	116

Formula:	C₉H₉NO
Molecular Weight:	147.177
Synonyms:	3-Hydroxy-3-phenylpropionitrile;3-Hydroxy-3-phenylpropanenitrile;Hydracrylonitrile,3-phenyl- (6CI,7CI,8CI);b-Hydroxy-benzenepropanenitrile;
Density:	1.129 g/cm³
Melting Point:	110 °C
Boiling Point:	343.302 °C at 760 mmHg
Flash Point:	161.423 °C
PSA:	44.02000
LogP:	1.63368

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Specification

The Benzenepropanenitrile, β-hydroxy- is an organic compound with the formula C₉H₉NO. The IUPAC name of this chemical is 3-Hydroxy-3-phenylpropanenitrile. With the CAS registry number 17190-29-3, it is also named as Hydracrylonitrile, 3-phenyl-. The product's categories are C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Benzenepropanenitrile, β-hydroxy- are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.702; (3)ACD/LogD (pH 7.4): 0.702; (4)ACD/BCF (pH 5.5): 2.012; (5)ACD/BCF (pH 7.4): 2.012; (6)ACD/KOC (pH 5.5): 57.399; (7)ACD/KOC (pH 7.4): 57.398; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.02 Å²; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 41.886 cm³; (14)Molar Volume: 130.395 cm³; (15)Polarizability: 16.605×10^-24 cm³; (16)Surface Tension: 50.349 dyne/cm; (17)Density: 1.129 g/cm³; (18)Flash Point: 161.423 °C; (19)Enthalpy of Vaporization: 61.967 kJ/mol; (20)Boiling Point: 343.302 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
(2)InChIKey: HILDHWAXSORHRZ-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
(4)Std. InChIKey: HILDHWAXSORHRZ-UHFFFAOYSA-N