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CAS No.: | 13684-28-1 |
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Name: | METHYL 2-HYDROXY-4-NITROBENZOATE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C8H7NO5 |
Molecular Weight: | 197.147 |
Synonyms: | Salicylicacid, 4-nitro-, methyl ester (7CI,8CI);2-Hydroxy-4-nitrobenzoic acid methylester;NSC 165605; |
Density: | 1.432 g/cm3 |
Melting Point: | 101-102 °C |
Boiling Point: | 324.5 °C at 760 mmHg |
Flash Point: | 150.1 °C |
PSA: | 92.35000 |
LogP: | 1.61020 |
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The Benzoic acid,2-hydroxy-4-nitro-, methyl ester, also known as NSC165605, is the organic compound with the formula C8H7NO5. With the CAS registry number 13684-28-1, its IUPAC name is methyl 2-hydroxy-4-nitrobenzoate.
Physical properties of Benzoic acid,2-hydroxy-4-nitro-, methyl ester: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 51.1; (5)ACD/BCF (pH 7.4): 42.42; (6)ACD/KOC (pH 5.5): 581.01; (7)ACD/KOC (pH 7.4): 482.26; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 46.45 cm3; (13)Molar Volume: 137.5 cm3; (14)Surface Tension: 59.7 dyne/cm; (15)Density: 1.432 g/cm3; (16)Flash Point: 150.1 °C; (17)Enthalpy of Vaporization: 58.91 kJ/mol; (18)Boiling Point: 324.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O
(2)InChI: InChI=1S/C8H7NO5/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,10H,1H3
(3)InChIKey: DODUOCYKSQVFSW-UHFFFAOYSA-N