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| CAS No.: | 74230-08-3 |
|---|---|
| Name: | 4-hydroxy-2-nitrobenzoic acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H5NO5 |
| Molecular Weight: | 183.12 |
| Synonyms: | 4-Hydroxy-2-nitrobenzoicacid;benzoic acid, 4-hydroxy-2-nitro-; |
| Density: | 1.631 g/cm3 |
| Melting Point: | 230ºC (dec.) |
| Boiling Point: | 414 °C at 760 mmHg |
| Flash Point: | 190.8 °C |
| PSA: | 103.35000 |
| LogP: | 1.52180 |
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- Total:25 Page 1 of 1 1
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Specification
The 4-Hydroxy-2-nitrobenzoic acid, with the cas registry number 74230-08-3, is also called benzoic acid, 4-hydroxy-2-nitro-. And the molecular formula of the chemical is C7H5NO5.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 103.35 Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 41.61 cm3; (13)Molar Volume: 112.2 cm3; (14)Polarizability: 16.49×10-24cm3; (15)Surface Tension: 84.1 dyne/cm; (16)Density: 1.631 g/cm3; (17)Flash Point: 190.8 °C; (18)Enthalpy of Vaporization: 70.31 kJ/mol; (19)Boiling Point: 414 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=N(=O)c1cc(O)ccc1C(O)=O
(2)InChI: InChI=1/C7H5NO5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)
(3)InChIKey: FNDZIIJCKXGZJA-UHFFFAOYAV