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Benzonitrile,4-(3-hydroxypropyl)-

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Name

Benzonitrile,4-(3-hydroxypropyl)-

EINECS N/A
CAS No. 83101-12-6 Density 1.098 g/cm3
PSA 44.02000 LogP 1.48318
Solubility N/A Melting Point N/A
Formula C10H11NO Boiling Point 323.691 °C at 760 mmHg
Molecular Weight 161.203 Flash Point 149.563 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83101-12-6 (4-(3-HYDROXY-PROPYL)-BENZONITRILE) Hazard Symbols N/A
Synonyms

3-(4-Cyanophenyl)-1-propanol;4-(3-Hydroxypropyl)benzonitrile;

Article Data 15

Benzonitrile,4-(3-hydroxypropyl)- Specification

The Benzonitrile,4-(3-hydroxypropyl)- is an organic compound with the molecular formula C10H11NO. Its CAS registry number is 83101-12-6. The IUPAC name of this chemical is called 4-(3-Hydroxypropyl)benzonitrile. What's more, the molecular weight of this chemical is 161.20044.

Physical properties about Benzonitrile,4-(3-hydroxypropyl)- are: (1)ACD/LogP: 1.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 124; (8)ACD/KOC (pH 7.4): 124; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.02 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 46.742 cm3; (15)Molar Volume: 146.814 cm3; (16)Polarizability: 18.53×10-24 cm3; (17)Surface Tension: 49.016 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 149.563 °C; (20)Enthalpy of Vaporization: 59.713 kJ/mol; (21)Boiling Point: 323.691 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(CCCO)cc1
(2) InChI: InChI=1/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,1-2,7H2
(3) InChIKey: DLSYBKFKTWXZMU-UHFFFAOYAS

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