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CAS No.: | 136507-14-7 |
---|---|
Name: | 2-Methoxy-4-nitrobenzyl alcohol |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H9NO4 |
Molecular Weight: | 183.164 |
Synonyms: | Benzenemethanol, 2-methoxy-4-nitro-; |
Density: | 1.317 g/cm3 |
Boiling Point: | 357.4 °C at 760 mmHg |
Flash Point: | 169.95 °C |
PSA: | 75.28000 |
LogP: | 1.61890 |
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The 2-Methoxy-4-nitrobenzyl alcohol, with the CAS registry number of 136507-14-7, is also known as Benzenemethanol, 2-methoxy-4-nitro-. Its molecular formula is C8H9NO4 and molecular weight is 152.19. What's more, its systematic name is (2-Methoxy-4-nitrophenyl)methanol.
Physical properties about the 2-Methoxy-4-nitrobenzyl alcohol are: (1)ACD/LogP: 1.32; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 82; (8)ACD/KOC (pH 7.4): 82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.28 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 45.928 cm3; (15)Molar Volume: 139.094 cm3; (16)Surface Tension: 51.696 dyne/cm; (17)Density: 1.317 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: [O-][N+](=O)c1cc(OC)c(cc1)CO
(2) InChI: InChI=1/C8H9NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-4,10H,5H2,1H3
(3) InChIKey: IWXYLEKOKGKRTN-UHFFFAOYAI