4-Formyl-1H-indazole-3-carboxylic acid supplier

Name
1H-Indazole-3-carboxylic acid, 4-formyl-
EINECS
CAS No. 885519-90-4
Density 1.6±0.1 g/cm³
Solubility
Melting Point
Formula C₉H₆N₂O₃
Boiling Point 521.9±30.0 °C at 760 mmHg
Molecular Weight 190.16
Flash Point 269.4±24.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Formyl-1H-indazole-3-carboxylic acid;
PSA 83.05000
LogP 1.07360

4-Formyl-1H-indazole-3-carboxylic acid Specification

The 4-Formyl-1H-indazole-3-carboxylic acid, with the CAS registry number 885519-90-4, is also known as 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine 2-butenedioate; fumaric acid. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 190.16. What's more, its systematic name is 4-Formyl-1H-indazole-3-carboxylic acid.

Physical properties of 4-Formyl-1H-indazole-3-carboxylic acid are: (1)ACD/LogP: 0.72±1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.26; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.05 Å²; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 50.3±0.3 cm³; (15)Molar Volume: 119.3±3.0 cm³; (16)Polarizability: 19.9±0.5×10^-24cm³; (17)Surface Tension: 94.6±3.0 dyne/cm; (18)Density: 1.6±0.1 g/cm³; (19)Flash Point: 269.4±24.6 °C; (20)Enthalpy of Vaporization: 83.7±3.0 kJ/mol; (21)Boiling Point: 521.9±30.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c2c(c1)[nH]nc2C(=O)O)C=O
(2)Std. InChI: InChI=1S/C9H6N2O3/c12-4-5-2-1-3-6-7(5)8(9(13)14)11-10-6/h1-4H,(H,10,11)(H,13,14)
(3)Std. InChIKey: CAXPLHNPOMKHLU-UHFFFAOYSA-N

Product Name

1H-Indazole-3-carboxylic acid, 4-formyl-

4-Formyl-1H-indazole-3-carboxylic acid Specification

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