1-Indanone-6-carboxylic acid

Systematic Name: 3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid
Synonyms of 1H-Indene-5-carboxylicacid,2,3-dihydro-3-oxo- (CAS NO.60031-08-5): 3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid ; 1-Indanone-6-carboxylic acid
CAS NO: 60031-08-5
Molecular Formula: C₁₀H₈O₃
Molecular Weight: 176.17
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 54.37 Å²
Index of Refraction: 1.631
Molar Refractivity: 45.48 cm³
Molar Volume: 127.5 cm³
Surface Tension: 62.1 dyne/cm
Density: 1.381 g/cm³
Flash Point: 194.9 °C
Enthalpy of Vaporization: 65.68 kJ/mol
Boiling Point: 375.2 °C at 760 mmHg
Vapour Pressure: 2.7E-06 mmHg at 25°C
Melting Point: 256-260 °C
SMILES: OC(=O)c1cc2c(cc1)CCC2=O
InChI: InChI=1/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13)
InChIKey: BIABIACQHKYEEB-UHFFFAOYAT
Std. InChI: InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13)
Std. InChIKey: BIABIACQHKYEEB-UHFFFAOYSA-N
Product Categories of 1H-Indene-5-carboxylicacid,2,3-dihydro-3-oxo- (CAS NO.60031-08-5): Benzocycles;pharmacetical

Hazard Codes: T
Risk Statements: 25-36/37/38
R25 : Toxic if swallowed. 
R36/37/38: 1H-Indene-5-carboxylicacid,2,3-dihydro-3-oxo- (CAS NO.60031-08-5) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3