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| CAS No.: | 755752-82-0 |
|---|---|
| Name: | 1H-Indazole-7-carboxylic acid |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.175 |
| Synonyms: | 7-INDAZOLE CARBOXYLLIC ACID;Methyl indazole-7-carboxylate;1H-Indazole-7-carboxylic acid methyl ester;Methyl indazole-7-carboxy...;7-(Methoxycarbonyl)-1H-indazole;7-(1H)Indazole carboxylic acid Methyl ester |
| Density: | 1.324 g/cm3 |
| Boiling Point: | 345.2 °C at 760 mmHg |
| Flash Point: | 162.6 °C |
| PSA: | 54.98000 |
| LogP: | 1.34950 |
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Specification
The 1H-Indazole-7-carboxylic acid is an organic compound with the formula C9H8N2O2. The systematic name of this chemical is methyl 1H-indazole-7-carboxylate. With the CAS registry number 755752-82-0, it is also named as Methyl indazole-7-carboxylate.
Physical properties about 1H-Indazole-7-carboxylic acid are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 54.98 Å2; (8)Index of Refraction: 1.648; (9)Molar Refractivity: 48.39 cm3; (10)Molar Volume: 132.9 cm3; (11)Polarizability: 19.18×10-24cm3; (12)Surface Tension: 59.7 dyne/cm; (13)Density: 1.324 g/cm3; (14)Flash Point: 162.6 °C; (15)Enthalpy of Vaporization: 58.93 kJ/mol; (16)Boiling Point: 345.2 °C at 760 mmHg; (17)Vapour Pressure: 6.24E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cccc2cnnc12
(2)InChI: InChI=1/C9H8N2O2/c1-13-9(12)7-4-2-3-6-5-10-11-8(6)7/h2-5H,1H3,(H,10,11)
(3)InChIKey: GEWJEKADAXWFPY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-4-2-3-6-5-10-11-8(6)7/h2-5H,1H3,(H,10,11)
(5)Std. InChIKey: GEWJEKADAXWFPY-UHFFFAOYSA-N