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85515-22-6

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Basic Information
CAS No.: 85515-22-6
Name: 6-Hydroxy-7-nitro-1-indanone
Article Data: 4
Molecular Structure:
Molecular Structure of 85515-22-6 (6-Hydroxy-7-nitro-1-indanone)
Formula: C9H7NO4
Molecular Weight: 193.16
Synonyms: 1H-inden-1-one, 2,3-dihydro-6-hydroxy-7-nitro-;
Density: 1.541 g/cm3
Boiling Point: 369.3 °C at 760 mmHg
Flash Point: 166.8 °C
PSA: 83.12000
LogP: 1.95250
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Specification

The CAS register number of 6-Hydroxy-7-nitro-1-indanone is 85515-22-6. It also can be called as 1H-inden-1-one, 2,3-dihydro-6-hydroxy-7-nitro- and the systematic name about this chemical is 6-hydroxy-7-nitro-2,3-dihydro-1H-inden-1-one. The molecular formula about this chemical is C9H7NO4 and the molecular weight is 193.16.

Physical properties about 6-Hydroxy-7-nitro-1-indanone are: (1)ACD/LogP: 1.94; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 72.12Å2; (6)Index of Refraction: 1.673; (7)Molar Refractivity: 46.98 cm3; (8)Molar Volume: 125.2 cm3; (9)Polarizability: 18.62x10-24cm3; (10)Surface Tension: 76 dyne/cm; (11)Enthalpy of Vaporization: 64.03 kJ/mol; (12)Boiling Point: 369.3 °C at 760 mmHg; (13)Vapour Pressure: 5.63E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(O)ccc2c1C(=O)CC2
(2)InChI: InChI=1/C9H7NO4/c11-6-3-1-5-2-4-7(12)9(8(5)6)10(13)14/h2,4,12H,1,3H2
(3)InChIKey: OMSIDHRDOFJRKC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7NO4/c11-6-3-1-5-2-4-7(12)9(8(5)6)10(13)14/h2,4,12H,1,3H2
(5)Std. InChIKey: OMSIDHRDOFJRKC-UHFFFAOYSA-N