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7103-80-2

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Basic Information
CAS No.: 7103-80-2
Name: (1-Oxo-2,3-dihydro-1H-inden-2-yl)acetic acid
Molecular Structure:
Molecular Structure of 7103-80-2 ((1-Oxo-2,3-dihydro-1H-inden-2-yl)acetic acid)
Formula: C11H10O3
Molecular Weight: 190.199
Synonyms: 2-Indanacetic acid, 1-oxo- (6CI,7CI);1-Oxo-2-indaneacetic acid;1H-Indene-2-acetic acid, 2,3-dihydro-1-oxo-;
Density: 1.292 g/cm3
Boiling Point: 394.009 °C at 760 mmHg
Flash Point: 206.255 °C
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Specification

(1-Oxo-2,3-dihydro-1H-inden-2-yl)acetic acid is an organic compound with the formula C11H10O3, and its systematic name is the same with the product name. With the CAS registry number 7103-80-2, it is also named as 1-Oxo-2-indaneacetic acid. In addition, the molecular weight is 190.20.

Physical properties of (1-Oxo-2,3-dihydro-1H-inden-2-yl)acetic acid are: (1)ACD/LogP: 0.511; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -2.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.91; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 49.449 cm3; (15)Molar Volume: 147.219 cm3; (16)Polarizability: 19.603×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 206.255 °C; (20)Enthalpy of Vaporization: 67.917 kJ/mol; (21)Boiling Point: 394.009 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2CC(=O)O
(2)Std. InChI: InChI=1S/C11H10O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,8H,5-6H2,(H,12,13)
(3)Std. InChIKey: BBKDCMMVYKIYCR-UHFFFAOYSA-N