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151716-23-3

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Basic Information
CAS No.: 151716-23-3
Name: (3E,3aR,8bS)-3-({[(2S)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Molecular Structure:
Molecular Structure of 151716-23-3 ((3E,3aR,8bS)-3-({[(2S)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one)
Formula: C17H14O5
Molecular Weight: 298.29
Synonyms: 2H-Indeno[1,2-b]furan-2-one, 3-[[[(2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,8b- tetrahydro-, (3E,3aR,8bS)-;
Density: 1.392 g/cm3
Boiling Point: 567.662 °C at 760 mmHg
Flash Point: 254.871 °C
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Specification

(3E,3aR,8bS)-3-({[(2S)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one is an organic compound with the formula C17H14O5, and its systematic name is the same with the product name. With the CAS registry number 151716-23-3, it is also named as 2H-Indeno[1,2-b]furan-2-one, 3-[[[(2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,8b- tetrahydro-, (3E,3aR,8bS)-. In addition, the molecular weight is 298.29.

Physical properties of (3E,3aR,8bS)-3-({[(2S)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one are: (1)ACD/LogP: -1.176; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.18; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.46; (8)ACD/KOC (pH 7.4): 5.46; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 76.308 cm3; (15)Molar Volume: 214.273 cm3; (16)Polarizability: 30.251×10-24cm3; (17)Surface Tension: 56.37 dyne/cm; (18)Density: 1.392 g/cm3; (19)Flash Point: 254.871 °C; (20)Enthalpy of Vaporization: 85.209 kJ/mol; (21)Boiling Point: 567.662 °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=C\4O[C@H](O\C=C2\C(=O)O[C@@H]3c1ccccc1C[C@H]23)/C=C/4C
(2)Std. InChI: InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14+,15-/m1/s1
(3)Std. InChIKey: XHSDUVBUZOUAOQ-IMBONUEFSA-N