1H-Indazole-4-carboxylicacid (677306-38-6)

The 1H-Indazole-4-carboxylic acid with cas registry number of 677306-38-6, belongs to the following product categories: (1)pharmacetical; (2)Building Blocks; (3)Indazole. Its systematic name and IUPAC name are the same, which is 1H-indazole-4-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.15; (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): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 43.55 cm³; (13)Molar Volume: 107.625 cm³; (14)Polarizability: 17.265×10^-24cm³; (15)Surface Tension: 85.206 dyne/cm; (16)Enthalpy of Vaporization: 73.926 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indazole-4-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:OC(=O)c1cccc2nncc12;
(2)InChI:InChI=1/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12);
(3)InChIKey:KGKZHHIUOZGUNP-UHFFFAOYAP;
(4)Std. InChI:InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12);
(5)Std. InChIKey:KGKZHHIUOZGUNP-UHFFFAOYSA-N.