1H-Indole-3-carboxaldehyde,7-methoxy- (109021-59-2)

The 7-Methoxy-3-indolecarboxaldehyde, with CAS registry number 109021-59-2, belongs to the following product categories: (1)Indole; (2)Building Blocks. Its systematic name and its IUPAC name are the same one, which is 7-methoxy-1H-indole-3-carbaldehyde. Besides this, it is also called 1H-indole-3-carboxaldehyde, 7-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.67; (6)ACD/BCF (pH 7.4): 9.67; (7)ACD/KOC (pH 5.5): 176.65; (8)ACD/KOC (pH 7.4): 176.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 51.95 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 20.59×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 62.27 kJ/mol; (19)Vapour Pressure: 7.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1cccc(OC)c1nc2
(2)InChI: InChI=1/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3
(3)InChIKey: ATFRUNSOMCCJDJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3
(5)Std. InChIKey: ATFRUNSOMCCJDJ-UHFFFAOYSA-N