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CAS No.: | 40751-89-1 |
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Name: | 2-METHOXY-5-NITROBENZOIC ACID |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C8H7NO5 |
Molecular Weight: | 197.147 |
Synonyms: | 2-methoxy-5-nitro-benzoate;2-methoxy-5-nitrobenzoic acid;2-methoxy-5-nitrobenzoic acid (IM OCS);benzoic acid, 2-methoxy-5-nitro-; |
Density: | 1.43 g/cm3 |
Melting Point: | 155-158℃ |
Boiling Point: | 384.5 °C at 760 mmHg |
Flash Point: | 186.3 °C |
PSA: | 92.35000 |
LogP: | 1.82480 |
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The CAS register number of 2-Methoxy-5-nitro-benzoic acid is 40751-89-1. It also can be called as benzoic acid, 2-methoxy-5-nitro- and the IUPAC name about this chemical is 2-methoxy-5-nitrobenzoic acid. The molecular formula about this chemical is C8H7NO5 and the molecular weight is 197.1449.
Physical properties about 2-Methoxy-5-nitro-benzoic acid are: (1)ACD/LogP: 1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.21; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 81.35Å2; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 46.4 cm3; (12)Molar Volume: 137.8 cm3; (13)Polarizability: 18.39x10-24cm3; (14)Surface Tension: 58.7 dyne/cm; (15)Flash Point: 186.3 °C; (16)Enthalpy of Vaporization: 66.79 kJ/mol; (17)Boiling Point: 384.5 °C at 760 mmHg; (18)Vapour Pressure: 1.34E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(C(=O)O)c1
(2)InChI: InChI=1/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: CVZUPRDSNNBZLH-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: CVZUPRDSNNBZLH-UHFFFAOYSA-N