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| CAS No.: | 84575-27-9 |
|---|---|
| Name: | 7-methoxyindoline-2,3-dione |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H7NO3 |
| Molecular Weight: | 177.159 |
| Synonyms: | Isatin,7-methoxy- (6CI);7-Methoxyisatin; |
| Density: | 1.346 g/cm3 |
| Melting Point: | 240-242 °C |
| PSA: | 55.40000 |
| LogP: | 0.96800 |
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Specification
The 1H-Indole-2,3-dione,7-methoxy-, with the CAS registry number 84575-27-9, is also known as 7-Methoxyindoline-2,3-dione. This chemical's molecular formula is C9H7NO3 and molecular weight is 177.15678. Its IUPAC name is called 7-methoxy-1H-indole-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,7-methoxy-: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 1.3; (6)ACD/KOC (pH 5.5): 42.19; (7)ACD/KOC (pH 7.4): 41.98; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 44.1 cm3; (13)Molar Volume: 131.5 cm3; (14)Surface Tension: 49.9 dyne/cm; (15)Density: 1.346 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC2=C1NC(=O)C2=O
(2)InChI: InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12)
(3)InChIKey: URXIUXOJSICGOD-UHFFFAOYSA-N