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29902-01-0

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Basic Information
CAS No.: 29902-01-0
Name: 3,3'-Methylenebis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one)
Article Data: 3
Molecular Structure:
Molecular Structure of 29902-01-0 (3,3'-Methylenebis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one))
Formula: C17H20O6
Molecular Weight: 320.342
Synonyms: Helipyrone;3,3'-Methanediylbis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one);
Density: 1.292 g/cm3
Boiling Point: 486 °C at 760 mmHg
Flash Point: 174.9 °C
PSA: 100.88000
LogP: 2.33660
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Specification

The CAS registry number of 2H-Pyran-2-one,3,3'-methylenebis[6-ethyl-4-hydroxy-5-methyl- is 29902-01-0. The systematic name is 3,3'-methanediylbis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one). In addition, the molecular formula is C17H20O6. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 2H-Pyran-2-one,3,3'-methylenebis[6-ethyl-4-hydroxy-5-methyl- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/BCF (pH 5.5): 25.1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 246.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 93.06 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 81.91 cm3; (14)Molar Volume: 247.8 cm3; (15)Polarizability: 32.47 ×10-24cm3; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.292 g/cm3; (18)Flash Point: 174.9 °C; (19)Enthalpy of Vaporization: 86.6 kJ/mol; (20)Boiling Point: 486 °C at 760 mmHg; (21)Vapour Pressure: 1.75E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1c(c(c(c(=O)o1)Cc2c(c(c(oc2=O)CC)C)O)O)C
(2)InChI: InChI=1/C17H20O6/c1-5-12-8(3)14(18)10(16(20)22-12)7-11-15(19)9(4)13(6-2)23-17(11)21/h18-19H,5-7H2,1-4H3
(3)InChIKey: BYRZLWJKTOLLBX-UHFFFAOYAL