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6-Hydroxy-7-nitro-1-indanone

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Name

6-Hydroxy-7-nitro-1-indanone

EINECS N/A
CAS No. 85515-22-6 Density 1.541 g/cm3
PSA 83.12000 LogP 1.95250
Solubility N/A Melting Point N/A
Formula C9H7NO4 Boiling Point 369.3 °C at 760 mmHg
Molecular Weight 193.16 Flash Point 166.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85515-22-6 (6-Hydroxy-7-nitro-1-indanone) Hazard Symbols N/A
Synonyms

1H-inden-1-one, 2,3-dihydro-6-hydroxy-7-nitro-;

Article Data 4

6-Hydroxy-7-nitro-1-indanone 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

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