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2-Hydroxy-3,5-dinitropyridine supplier 2-Hydroxy-3,5-dinitropyridine China 2-Hydroxy-3,5-dinitropyridine 98%
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1.Properties of 2-Hydroxy-3,5-dinitropyridine
(1)ACD/LogP: 0.834 (2)# of Rule of 5 Violations: 0
(3)ACD/LogD (pH 5.5): -1.61 (4)ACD/LogD (pH 7.4): -2.28
(5)ACD/BCF (pH 5.5): 1.00 (6)ACD/BCF (pH 7.4): 1.00
(7)ACD/KOC (pH 5.5): 1.00 (8)ACD/KOC (pH 7.4): 1.00
(9)#H bond acceptors: 8 (10)#H bond donors: 1
(11)#Freely Rotating Bonds: 2 (12)Polar Surface Area: 124.76 ?2
(13)Index of Refraction: 1.674 (14)Molar Refractivity: 39.317 cm3
(15)Molar Volume: 104.77 cm3 (16)Polarizability: 15.586 10-24cm3
(17)Surface Tension: 95.3610000610352 dyne/cm (18)Density: 1.767 g/cm3
(19)Flash Point: 195.159 °C (20)Enthalpy of Vaporization: 67.509 kJ/mol
(21)Boiling Point: 399.083 °C at 760 mmHg
2.Structure descriptors of 2-Hydroxy-3,5-dinitropyridine
SMILES:O=[N+]([O-])\C1=C\C(=C/NC1=O)[N+]([O-])=O
Std. InChI:InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)
Std. InChIKey:KSZZJOXNRQKULB-UHFFFAOYSA-N
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