(3E,3aR,8bS)-3-({[(2R)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one supplier

Name
(3E,3aR,8bS)-3-({[(2R)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
EINECS
CAS No. 151716-22-2
Density 1.392 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₄O₅
Boiling Point 567.662 °C at 760 mmHg
Molecular Weight 298.29
Flash Point 254.871 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-Indeno[1,2-b]furan-2-one, 3-[[[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,8b-tetrahydro-, (3E,3aR,8bS)-;(3aR,8bS,5'R)-3-[(2,5-Dihydro-3-methyl-2-oxo-5-furanyl)oxymethylene]-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one;
PSA
LogP

(3E,3aR,8bS)-3-({[(2R)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one Specification

(3E,3aR,8bS)-3-({[(2R)-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 151716-22-2, it is also named as 2H-Indeno[1,2-b]furan-2-one, 3-[[[(2R)-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-({[(2R)-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: 0.471; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 43.00; (8)ACD/KOC (pH 7.4): 43.00; (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-WJQMYRPNSA-N

Product Name

(3E,3aR,8bS)-3-({[(2R)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

(3E,3aR,8bS)-3-({[(2R)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one Specification

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