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913297-09-3

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Basic Information
CAS No.: 913297-09-3
Name: 4-Nitro-2-indanone
Molecular Structure:
Molecular Structure of 913297-09-3 (4-Nitro-2-indanone)
Formula: C9H7NO3
Molecular Weight: 177.159
Synonyms: 4-nitro-2,3-dihydro-1H-inden-1-one;4-Nitro-2,3-dihydro-1H-inden-1-on;1H-inden-1-one, 2,3-dihydro-4-nitro-;
Density: 1.396 g/cm3
Boiling Point: 332.9 °C at 760 mmHg
Flash Point: 170.4 °C
PSA: 62.89000
LogP: 1.78570
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Specification

The CAS register number of 4-Nitro-2-indanone is 913297-09-3. It also can be called as 1H-inden-1-one, 2,3-dihydro-4-nitro- and the systematic name about this chemical is 4-nitro-2,3-dihydro-1H-inden-1-one. The molecular formula about this chemical is C9H7NO3 and the molecular weight is 177.15678.

Physical properties about 4-Nitro-2-indanone are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 17.08; (5)ACD/BCF (pH 7.4): 17.08; (6)ACD/KOC (pH 5.5): 265.32; (7)ACD/KOC (pH 7.4): 265.32; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.89Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 45.1 cm3; (13)Molar Volume: 126.8 cm3; (14)Polarizability: 17.88x10-24cm3; (15)Surface Tension: 61.1 dyne/cm; (16)Enthalpy of Vaporization: 57.57 kJ/mol; (17)Boiling Point: 332.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)CCC2=O
(2)InChI: InChI=1/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
(3)InChIKey: MLRACZPAMDFORH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
(5)Std. InChIKey: MLRACZPAMDFORH-UHFFFAOYSA-N