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61161-83-9

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Basic Information
CAS No.: 61161-83-9
Name: 5-(hydroxymethyl)-2-nitrophenol
Article Data: 20
Molecular Structure:
Molecular Structure of 61161-83-9 (5-(hydroxymethyl)-2-nitrophenol)
Formula: C7H7NO4
Molecular Weight: 169.137
Synonyms: Benzylalcohol, 3-hydroxy-4-nitro- (6CI);3-(Hydroxymethyl)-6-nitrophenol;3-Hydroxy-4-nitrobenzyl alcohol;5-Hydroxymethyl-2-nitrophenol;
Density: 1.489 g/cm3
Boiling Point: 347.5 °C at 760 mmHg
Flash Point: 159.6 °C
PSA: 86.28000
LogP: 1.31590
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Specification

The Benzenemethanol, 3-hydroxy-4-nitro-, with the CAS registry number 61161-83-9, is also known as 3-Hydroxy-4-nitrobenzyl alcohol. This chemical's molecular formula is C7H7NO4 and molecular weight is 169.135. What's more, its systematic name is 5-(Hydroxymethyl)-2-nitrophenol

Physical properties about Benzenemethanol, 3-hydroxy-4-nitro- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.35; (8)ACD/KOC (pH 7.4): 11.67; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 86.28 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 41.13 cm3; (15)Molar Volume: 113.5 cm3; (16)Polarizability: 16.3×10-24 cm3; (17)Surface Tension: 72.5 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 159.6 °C ; (20)Enthalpy of Vaporization: 62.45 kJ/mol; (21)Boiling Point: 347.5 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1ccc(cc1O)CO
(2) InChI: InChI=1/C7H7NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2
(3) InChIKey: YDFRYKXELURVHE-UHFFFAOYAZ