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1,2-Indanedione

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1,2-Indanedione

EINECS 210-109-7
CAS No. 16214-27-0 Density 1.31 g/cm3
PSA 34.14000 LogP 0.99450
Solubility N/A Melting Point 117-124°C
Formula C9H6O2 Boiling Point 273.8 °C at 760 mmHg
Molecular Weight 146.145 Flash Point 106.4 °C
Transport Information N/A Appearance solid
Safety 24/25 Risk Codes 22-37/38-41-43-52/53
Molecular Structure Molecular Structure of 16214-27-0 (1,2-Indanedione) Hazard Symbols Xn
Synonyms

1,2-Indandione(8CI);3-hydrocyclopenta[1,2-a]benzene-1,2-dione;

Article Data 4

1,2-Indanedione Specification

The CAS register number of 1,2-Indanedione is 16214-27-0. It also can be called as 1H-Indene-1,2(3H)-dione and the IUPAC name about this chemical is 3H-indene-1,2-dione. The molecular formula about this chemical is C9H6O2 and molecular weight is 146.14. It belongs to the Pharmacetical. When you are using it, please avoid contact with skin and eyes.

Physical properties about 1,2-Indanedione are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.39; (7)ACD/KOC (pH 7.4): 34.39; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14Å2; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 38.68 cm3; (12)Molar Volume: 111.5 cm3; (13)Polarizability: 15.33x10-24cm3; (14)Surface Tension: 54.3 dyne/cm; (15)Flash Point: 106.4 °C; (16)Enthalpy of Vaporization: 51.22 kJ/mol; (17)Boiling Point: 273.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0056 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2=O
(2)InChI: InChI=1/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
(3)InChIKey: WFFZGYRTVIPBFN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
(5)Std. InChIKey: WFFZGYRTVIPBFN-UHFFFAOYSA-N

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