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| CAS No.: | 109021-59-2 |
|---|---|
| Name: | 7-Methoxy-3-indolecarboxaldehyde |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | 7-METHOXY-3-INDOLECARBOXALDEHYDE;7-METHOXYINDOLE-3-CARBOXALDEHYDE;7-METHOXY-1H-INDOLE-3-CARBALDEHYDE;3-Formyl-7-methoxyindole;1H-Indole-3-carboxaldehyde, 7-methoxy-;7-methoxy-1H-Indole-3-carboxaldehyde |
| Density: | 1.274 g/cm3 |
| Melting Point: | 159-160 °C |
| Boiling Point: | 375.236 °C at 760 mmHg |
| Flash Point: | 180.736 °C |
| PSA: | 42.09000 |
| LogP: | 1.98900 |
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- Total:36 Page 1 of 1 1
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Specification
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