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200864-16-0

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Basic Information
CAS No.: 200864-16-0
Name: 6-Nitro-2-tetralone
Article Data: 3
Molecular Structure:
Molecular Structure of 200864-16-0 (6-Nitro-2-tetralone)
Formula: C10H9NO3
Molecular Weight: 191.186
Synonyms: 6-Nitro-2-tetralone;
Density: 1.322g/cm3
Boiling Point: 357 °C at 760 mmHg
Flash Point: 180.7 °C
PSA: 62.89000
LogP: 2.17580
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Specification

The 6-Nitro-2-tetralone, with CAS registry number 200864-16-0, has the systematic name of 6-nitro-3,4-dihydronaphthalen-2(1H)-one. Besides this, it is also called 2(1H)-naphthalenone, 3,4-dihydro-6-nitro-. And the chemical formula of this chemical is C10H9NO3.

Physical properties of 6-Nitro-2-tetralone: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.53; (6)ACD/BCF (pH 7.4): 7.53; (7)ACD/KOC (pH 5.5): 147.62; (8)ACD/KOC (pH 7.4): 147.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 49.71 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 19.7×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Enthalpy of Vaporization: 60.23 kJ/mol; (19)Vapour Pressure: 2.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)CCC(=O)C2
(2)InChI: InChI=1/C10H9NO3/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1,3,5H,2,4,6H2
(3)InChIKey: CNXOOCPWNIMFFF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H9NO3/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1,3,5H,2,4,6H2
(5)Std. InChIKey: CNXOOCPWNIMFFF-UHFFFAOYSA-N