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7-Methoxyisatin

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Name

7-Methoxyisatin

EINECS N/A
CAS No. 84575-27-9 Density 1.346 g/cm3
PSA 55.40000 LogP 0.96800
Solubility N/A Melting Point 240-242 °C
Formula C9H7NO3 Boiling Point N/A
Molecular Weight 177.159 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84575-27-9 (7-methoxyindoline-2,3-dione) Hazard Symbols N/A
Synonyms

Isatin,7-methoxy- (6CI);7-Methoxyisatin;

Article Data 9

7-Methoxyisatin 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

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