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114915-75-2

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Basic Information
CAS No.: 114915-75-2
Name: 2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 114915-75-2 (2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid)
Formula: C11H8O3
Molecular Weight: 188.18
Synonyms: 2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid;
Density: 1.483 g/cm3
Boiling Point: 394.3 °C at 760 mmHg
Flash Point: 206.4 °C
PSA: 54.37000
LogP: 1.43640
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Specification

The 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid with the cas number 114915-75-2 is also called 2-(1-oxo-1H-inden-2(3H)-ylidene)acetic acid. The systematic name is 2-(1-oxoindan-2-ylidene)acetic acid. Its molecular formula is C11H8O3. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.37 Å2; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 51 cm3; (9)Molar Volume: 126.8 cm3; (10)Polarizability: 20.21×10-24cm3; (11)Surface Tension: 83.8 dyne/cm; (12)Enthalpy of Vaporization: 67.95 kJ/mol ; (13)Vapour Pressure: 6.35×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C=C2Cc1ccccc1C2=O
(2)InChI: InChI=1/C11H8O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,6H,5H2,(H,12,13)
(3)InChIKey: CRIAYPLBQCVXMB-UHFFFAOYAK