Name: 6-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE
SKU: 518987-37-6

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Basic Information

Molecular Structure:
CAS No.:	518987-37-6
Name:	6-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE
Article Data:	5

Formula:	C₉H₈N₂O₂
Molecular Weight:	176.175
Synonyms:	6-Methoxy-1H-indazole-3-carboxaldehyde;
Density:	1.347 g/cm³
Melting Point:	200.1-200.2 °C
Boiling Point:	391.67 °C at 760 mmHg
Flash Point:	190.675 °C
PSA:	54.98000
LogP:	1.38400

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Specification

The CAS register number of 6-Methoxy-1H-indazole-3-carboxaldehyde is 518987-37-6. It also can be called as 1H-Indazole-3-carboxaldehyde,6-methoxy- and the systematic name about this chemical is 6-methoxy-1H-indazole-3-carbaldehyde. The molecular formula about this chemical is C₉H₈N₂O₂and the molecular weight is 176.17. It belongs to the Indazole.

Physical properties about 6-Methoxy-1H-indazole-3-carboxaldehyde are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 101; (7)ACD/KOC (pH 7.4): 101; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.98Å²; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 50.051 cm³; (14)Molar Volume: 130.764 cm³; (15)Polarizability: 19.842x10^-24cm³; (16)Surface Tension: 61.767 dyne/cm; (17)Enthalpy of Vaporization: 64.131 kJ/mol; (18)Boiling Point: 391.67 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)nnc2C=O
(2)InChI: InChI=1/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-11-9(7)5-12/h2-5H,1H3,(H,10,11)
(3)InChIKey: FURSDLDDYXMLBU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-11-9(7)5-12/h2-5H,1H3,(H,10,11)
(5)Std. InChIKey: FURSDLDDYXMLBU-UHFFFAOYSA-N