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| CAS No.: | 932702-13-1 |
|---|---|
| Name: | 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C7H5N3O2 |
| Molecular Weight: | 163.136 |
| Synonyms: | 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid |
| Density: | 1.618 g/cm3 |
| Boiling Point: | 501.685 °C at 760 mmHg |
| Flash Point: | 257.21 °C |
| PSA: | 78.87000 |
| LogP: | 0.65610 |
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Specification
This product is an organic compound with the formula C7H5N3O2. The systematic name of this chemical is 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid. Its CAS registry number is 932702-13-1. In addition, the molecular weight is 163.14.
Physical properties of 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid are: (1)ACD/LogP: 1.42; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.87 Å2; (11)Index of Refraction: 1.763; (12)Molar Refractivity: 41.641 cm3; (13)Molar Volume: 100.849 cm3; (14)Polarizability: 16.508×10-24cm3; (15)Surface Tension: 102.817 dyne/cm; (16)Density: 1.618 g/cm3; (17)Flash Point: 257.21 °C; (18)Enthalpy of Vaporization: 81.143 kJ/mol; (19)Boiling Point: 501.685 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc2c1c(n[nH]2)C(=O)O
(2)Std. InChI: InChI=1S/C7H5N3O2/c11-7(12)6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)(H,11,12)
(3)Std. InChIKey: QDZQGBUZFAVGIW-UHFFFAOYSA-N