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136081-50-0

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Basic Information
CAS No.: 136081-50-0
Name: 6-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile
Article Data: 8
Molecular Structure:
Molecular Structure of 136081-50-0 (6-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile)
Formula: C11H9NO
Molecular Weight: 171.195
Synonyms: 6-OXO-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONITRILE
Density: 1.19 g/cm3
Boiling Point: 338.8 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 40.86000
LogP: 1.61608
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Specification

With the CAS registry number 136081-50-0, the IUPAC name of this chemical is 6-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile. In addition, the molecular formula is C11H9NO and the molecular weight is 171.195. It should be stored in a cool and dry place.

Physical properties about 6-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.16; (4)ACD/BCF (pH 5.5): 4.51; (5)ACD/BCF (pH 7.4): 4.51; (6)ACD/KOC (pH 5.5): 102.23; (7)ACD/KOC (pH 7.4): 102.23; (8)#H bond acceptors: 2; (9)Polar Surface Area: 40.86 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 47.9 cm3; (12)Molar Volume: 143.5 cm3; (13)Polarizability: 18.99 ×10-24cm3; (14)Surface Tension: 51.9 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 158.7 °C; (17)Enthalpy of Vaporization: 58.22 kJ/mol; (18)Boiling Point: 338.8 °C at 760 mmHgVapour Pressure: 9.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2CC(=O)CCc2c1
(2)InChI: InChI=1/C11H9NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-2,5H,3-4,6H2
(3)InChIKey: VFYXRPRIMUJTPO-UHFFFAOYAK