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CAS No.: | 1255207-17-0 |
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Name: | 4-(2-Hydroxyethyl)-2-methoxybenzonitrile |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | 4-(2-Hydroxyethyl)-2-methoxy-benzonitrile; |
Density: | 1.161 g/cm3 |
Boiling Point: | 357.4 °C at 760 mmHg |
Flash Point: | 169.95 °C |
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The CAS registry number of 4-(2-Hydroxyethyl)-2-methoxybenzonitrile is 1255207-17-0. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.1998. What's more, its systematic name is called 4-(2-Hydroxyethyl)-2-methoxy-benzonitrile.
Physical properties about 4-(2-Hydroxyethyl)-2-methoxybenzonitrile are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.686; (4)ACD/LogD (pH 7.4): 1.686; (5)ACD/BCF (pH 5.5): 11.252; (6)ACD/BCF (pH 7.4): 11.252; (7)ACD/KOC (pH 5.5): 196.83; (8)ACD/KOC (pH 7.4): 196.83; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.25 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.476 cm3; (15)Molar Volume: 152.667 cm3; (16)Surface Tension: 50.516 dyne/cm; (17)Density: 1.161 g/cm3; (18)Flash Point: 169.95 °C; (19)Enthalpy of Vaporization: 63.603 kJ/mol; (20)Boiling Point: 357.4 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1C#N)CCO
(2) InChI: InChI=1/C10H11NO2/c1-13-10-6-8(4-5-12)2-3-9(10)7-11/h2-3,6,12H,4-5H2,1H3
(3) InChIKey: QMBKCUNTQJICDD-UHFFFAOYAZ