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CAS No.: | 199327-63-4 |
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Name: | 6-CYANOOXINDOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H6N2O |
Molecular Weight: | 158.15 |
Synonyms: | 2-Oxoindoline-6-carbonitrile;6-Cyanooxindole; |
Density: | 1.33 g/cm3 |
Boiling Point: | 369.4 °C at 760 mmHg |
Flash Point: | 177.2 °C |
PSA: | 52.89000 |
LogP: | 1.19088 |
The CAS register number of 1H-Indole-6-carbonitrile,2,3-dihydro-2-oxo- is 199327-63-4. It also can be called as 2-oxoindoline-6-carbonitrile and the IUPAC name about this chemical is 2-oxo-1,3-dihydroindole-6-carbonitrile. The molecular formula about this chemical is C9H6N2O and the molecular weight is 158.16. It belongs to the following product categories which include Blocks; Carboxes; IndolesOxindoles; Indoline & Oxindole and so on.
Physical properties about 1H-Indole-6-carbonitrile,2,3-dihydro-2-oxo- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.4; (5)ACD/BCF (pH 7.4): 5.4; (6)ACD/KOC (pH 5.5): 116.43; (7)ACD/KOC (pH 7.4): 116.43; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 44.1Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 42.29 cm3; (13)Molar Volume: 118.4 cm3; (14)Polarizability: 16.76x10-24cm3; (15)Surface Tension: 62.8 dyne/cm; (16)Flash Point: 177.2 °C; (17)Enthalpy of Vaporization: 61.62 kJ/mol; (18)Boiling Point: 369.4 °C at 760 mmHg; (19)Vapour Pressure: 1.19E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2c(c1)NC(=O)C2
(2)InChI: InChI=1/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)
(3)InChIKey: NDVUETYYXRFYKO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)
(5)Std. InChIKey: NDVUETYYXRFYKO-UHFFFAOYSA-N