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| CAS No.: | 90417-53-1 |
|---|---|
| Name: | 5-Methoxy-3-indazolecarboxylic acid |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H8N2O3 |
| Molecular Weight: | 192.174 |
| Synonyms: | 5-Methoxy-1H-indazole-3-carboxylicacid;5-Methoxyindazole-3-carboxylic acid; |
| Density: | 1.46 g/cm3 |
| Boiling Point: | 467.609 °C at 760 mmHg |
| Flash Point: | 236.602 °C |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 75.21000 |
| LogP: | 1.26970 |
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- Total:37 Page 1 of 1 1
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Specification
The 5-Methoxy-3-indazolecarboxylic acid, with the CAS registry number 90417-53-1, is also known as 1H-Indazole-3-carboxylic acid, 5-methoxy-. It belongs to the product categories of Pharmacetical; Indazole. This chemical's molecular formula is C9H8N2O3 and molecular weight is 192.17142. Its IUPAC name is called 5-methoxy-1H-indazole-3-carboxylic acid.
Physical properties of 5-Methoxy-3-indazolecarboxylic acid: (1)ACD/LogP: 1.90; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.997; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.689; (10)Molar Refractivity: 50.228 cm3; (11)Molar Volume: 131.627 cm3; (12)Surface Tension: 72.175 dyne/cm; (13)Density: 1.46 g/cm3; (14)Flash Point: 236.602 °C; (15)Enthalpy of Vaporization: 76.87 kJ/mol; (16)Boiling Point: 467.609 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)NN=C2C(=O)O
(2)InChI: InChI=1S/C9H8N2O3/c1-14-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: RSERHJPLECECPR-UHFFFAOYSA-N