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| CAS No.: | 90401-84-6 |
|---|---|
| Name: | 6-CYANO-1-TETRALONE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C11H9NO |
| Molecular Weight: | 171.199 |
| Synonyms: | 2-Naphthonitrile,5,6,7,8-tetrahydro-5-oxo- (7CI);5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;6-Cyano-1-tetralone; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 331.1 °C at 760 mmHg |
| Flash Point: | 154 °C |
| PSA: | 40.86000 |
| LogP: | 2.07728 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 910247-97-11,2,3-Trimethylimidazolium dimethyl phosphate
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- Total:28 Page 1 of 1 1
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Specification
The 2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-5-oxo-, with CAS registry number 90401-84-6, belongs to the following product category: Benzocycles. It has the systematic name of 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile. And the chemical formula of this chemical is C11H9NO.
Physical properties of 2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-5-oxo-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.54; (6)ACD/BCF (pH 7.4): 23.54; (7)ACD/KOC (pH 5.5): 333.81; (8)ACD/KOC (pH 7.4): 333.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.86 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 47.9 cm3; (15)Molar Volume: 143.5 cm3; (16)Polarizability: 18.99×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 154 °C; (20)Enthalpy of Vaporization: 57.37 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc1c(C(=O)CCC1)c2
(2)InChI: InChI=1/C11H9NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2
(3)InChIKey: WXWZWMNHMVQTPS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H9NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2
(5)Std. InChIKey: WXWZWMNHMVQTPS-UHFFFAOYSA-N