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71608-10-1

Basic Information
CAS No.: 71608-10-1
Name: 3,6-Dimethyl-2-nitrophenol
Article Data: 5
Molecular Structure:
Molecular Structure of 71608-10-1 (3,6-Dimethyl-2-nitrophenol)
Formula: C8H9NO3
Molecular Weight: 167.164
Synonyms: 2,5-Dimethyl-6-nitrophenol;
Density: 1.263 g/cm3
Melting Point: 34.5°C
Boiling Point: 249 °C at 760 mmHg
Flash Point: 107.3 °C
PSA: 66.05000
LogP: 2.44040
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Specification

The Phenol,3,6-dimethyl-2-nitro-, with the CAS registry number of 71608-10-1, is also known as 2,5-Dimethyl-6-nitrophenol. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.163. What's more, its IUPAC name is 3,6-Dimethyl-2-nitrophenol.

Physical properties about the Phenol,3,6-dimethyl-2-nitro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 44.32 cm3; (9)Molar Volume: 132.2 cm3; (10)Surface Tension: 50.7 dyne/cm; (11)Density: 1.263 g/cm3; (12)Flash Point: 107.3 °C; (13)Enthalpy of Vaporization: 50.59 kJ/mol; (14)Boiling Point: 249 °C at 760 mmHg; (15)Vapour Pressure: 0.0148 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(ccc(c1O)C)C
(2) InChI: InChI=1/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3
(3) InChIKey: VIQHHRZADKSPIM-UHFFFAOYAQ