5-Methoxy-1H-indazole-3-carboxaldehyde supplier

Name
5-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE
EINECS 604-604-1
CAS No. 169789-37-1
Article Data6
CAS DataBase
Density 1.347 g/cm³
Solubility
Melting Point 214-216 °C
Formula C₉H₈N₂O₂
Boiling Point 226.154 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 90.575 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE, 95+%;5-Methoxy-1H-indazole-3-carboxyaldehyde;
PSA 54.98000
LogP 1.38400

5-Methoxy-1H-indazole-3-carboxaldehyde Specification

The 5-Methoxy-1H-indazole-3-carboxaldehyde with cas registry number of 169789-37-1, belongs to the following product categorie: Indazole. It has the systematic name of 5-methoxy-2H-indazole-3-carbaldehyde. And it is also named 1H-indazole-3-carboxaldehyde, 5-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 195; (8)ACD/KOC (pH 7.4): 195; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.98 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 50.051 cm³; (15)Molar Volume: 130.764 cm³; (16)Polarizability: 19.842×10^-24cm³; (17)Surface Tension: 61.767 dyne/cm; (18)Enthalpy of Vaporization: 46.269 kJ/mol; (19)Vapour Pressure: 0.083 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)c(n[nH]2)C=O;
(2)InChI: InChI=1/C9H8N2O2/c1-13-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11);
(3)InChIKey: MUSWNKMMIYVNJY-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-13-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11);
(5)Std. InChIKey: MUSWNKMMIYVNJY-UHFFFAOYSA-N

Product Name

5-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE

5-Methoxy-1H-indazole-3-carboxaldehyde Specification

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