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| CAS No.: | 53967-73-0 |
|---|---|
| Name: | 2-Methoxy-6-nitrobenzoic Acid |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H7NO5 |
| Molecular Weight: | 197.147 |
| Synonyms: | o-Anisicacid, 6-nitro- (7CI);2-Methoxy-6-nitrobenzoic acid; |
| Density: | 1.43 g/cm3 |
| Melting Point: | 180℃ |
| Boiling Point: | 374.6 °C at 760 mmHg |
| Flash Point: | 180.3 °C |
| PSA: | 92.35000 |
| LogP: | 1.82480 |
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- Total:23 Page 1 of 1 1
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Specification
The 2-Methoxy-6-nitrobenzoic Acid, with the CAS registry number 53967-73-0, is also known as o-Anisicacid, 6-nitro- (7CI). This chemical's molecular formula is C8H7NO5 and molecular weight is 197.14. What's more, its systematic name is 2-Methoxy-6-nitrobenzoic acid and it belongs to the product category of Acids and Derivatives.
Physical properties of 2-Methoxy-6-nitrobenzoic Acid are: (1)ACD/LogP: 1.46; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 92.35 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 46.4 cm3; (13)Molar Volume: 137.8 cm3; (14)Polarizability: 18.39×10-24 cm3; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.43 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 65.62 kJ/mol; (19)Boiling Point: 374.6 °C at 760 mmHg; (20)Vapour Pressure: 2.82E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC(=C1C(=O)O)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(9(12)13)7(6)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: ORPBIIFFJYJUHR-UHFFFAOYSA-N