1H-Indazole-6-carboxylic acid supplier

Name
1H-Indazole-6-carboxylic acid
EINECS
CAS No. 704-91-6
Article Data18
CAS DataBase
Density 1.507 g/cm³
Solubility
Melting Point 302-307°C
Formula C₈H₆N₂O₂
Boiling Point 443.749 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 222.172 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Carboxyindazole;6-Indazolecarboxylic acid;
PSA 65.98000
LogP 1.26110

1H-Indazole-6-carboxylic acid Specification

The 1H-Indazole-6-carboxylic acid with the CAS number 704-91-6 is also called 6-Indazolecarboxylic acid. Its molecular formula is C₈H₆N₂O₂. This chemical belongs to the following product categories: (1)pharmacetical; (2)Building Blocks; (3)Indazole. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.98 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 43.55 cm³; (15)Molar Volume: 107.625 cm³; (16)Polarizability: 17.265×10^-24cm³; (17)Surface Tension: 85.206 dyne/cm; (18)Enthalpy of Vaporization: 73.926 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2cnnc2c1
(2)InChI: InChI=1/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-4H,(H,9,10)(H,11,12)
(3)InChIKey: DNCVTVVLMRHJCJ-UHFFFAOYAM

Product Name

1H-Indazole-6-carboxylic acid

1H-Indazole-6-carboxylic acid Specification

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