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CAS No.: | 83101-12-6 |
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Name: | 4-(3-HYDROXY-PROPYL)-BENZONITRILE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H11NO |
Molecular Weight: | 161.203 |
Synonyms: | 3-(4-Cyanophenyl)-1-propanol;4-(3-Hydroxypropyl)benzonitrile; |
Density: | 1.098 g/cm3 |
Boiling Point: | 323.691 °C at 760 mmHg |
Flash Point: | 149.563 °C |
PSA: | 44.02000 |
LogP: | 1.48318 |
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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