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64987-77-5

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Basic Information
CAS No.: 64987-77-5
Name: 2-(2-NITRO-PHENYL)-PROPAN-1-OL
Article Data: 14
Molecular Structure:
Molecular Structure of 64987-77-5 (2-(2-NITRO-PHENYL)-PROPAN-1-OL)
Formula: C9H11NO3
Molecular Weight: 181.191
Synonyms: 2-(2-Nitrophenyl)propan-1-ol;2-(2-Nitrophenyl)propanol;
Density: 1.217 g/cm3
Boiling Point: 324.9 °C at 760 mmHg
Flash Point: 142.7 °C
PSA: 66.05000
LogP: 2.21380
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Specification

The Benzeneethanol, beta-methyl-2-nitro-, with the CAS registry number 64987-77-5, has the molecular formula C9H11NO3. In addition, this chemical's molecular weight is 181.1885. Its systematic name is called 2-(2-nitrophenyl)propan-1-ol. 

Physical properties of Benzeneethanol, beta-methyl-2-nitro-: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.27; (5)ACD/BCF (pH 7.4): 7.27; (6)ACD/KOC (pH 5.5): 144.02; (7)ACD/KOC (pH 7.4): 144.02; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 48.51 cm3; (13)Molar Volume: 148.8 cm3; (14)Surface Tension: 49.3 dyne/cm; (15)Density: 1.217 g/cm3; (16)Flash Point: 142.7 °C; (17)Enthalpy of Vaporization: 59.85 kJ/mol; (18)Boiling Point: 324.9 °C at 760 mmHg; (19)Vapour Pressure: 9.75E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C(CO)C
(2)InChI: InChI=1/C9H11NO3/c1-7(6-11)8-4-2-3-5-9(8)10(12)13/h2-5,7,11H,6H2,1H3
(3)InChIKey: CIVPZPJJPWVVIP-UHFFFAOYAH