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Benzoic acid,3-hydroxy-5-nitro- (78238-14-9)

Identification
Name:Benzoic acid,3-hydroxy-5-nitro-
Synonyms:3-Hydroxy-5-nitrobenzoicacid;3-Nitro-5-hydroxybenzoic acid;5-Hydroxy-3-nitrobenzoic acid;
CAS:78238-14-9
Molecular Formula: C7H5NO5
Molecular Weight: 183.12
InChI: InChI=1/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)
Molecular Structure: (C7H5NO5) 3-Hydroxy-5-nitrobenzoicacid;3-Nitro-5-hydroxybenzoic acid;5-Hydroxy-3-nitrobenzoic acid;
Properties
Density:1.631 g/cm3
Refractive index:1.663
Specification:

The 3-Hydroxy-5-nitrobenzoic acid is an organic compound with the formula C7H5NO5. The systematic name of this chemical is 3-hydroxy-5-nitrobenzoic acid. With the CAS registry number 78238-14-9, it is also named as benzoic acid, 3-hydroxy-5-nitro-. The product's categories are Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts.

Physical properties about 3-Hydroxy-5-nitrobenzoic acid are: (1)ACD/LogP: 2.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.14; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 81.35 Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 41.61 cm3; (12)Molar Volume: 112.2 cm3; (13)Polarizability: 16.49×10-24cm3; (14)Surface Tension: 84.1 dyne/cm; (15)Density: 1.631 g/cm3; (16)Flash Point: 195.3 °C; (17)Enthalpy of Vaporization: 71.46 kJ/mol; (18)Boiling Point: 423.5 °C at 760 mmHg; (19)Vapour Pressure: 6.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(O)c1)C(=O)O
(2)InChI: InChI=1/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)
(3)InChIKey: ZVLLYIMPDTXFNC-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)
(5)Std. InChIKey: ZVLLYIMPDTXFNC-UHFFFAOYSA-N

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