2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl- (9Cl) supplier

Name
ISO-OSAJIN
EINECS
CAS No. 5745-54-0
Article Data2
CAS DataBase
Density 1.249 g/cm³
Solubility
Melting Point 285℃
Formula C₂₅H₂₄O₅
Boiling Point 608 °C at 760 mmHg
Molecular Weight 404.463
Flash Point 210.7 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(p-hydroxyphenyl)-2,2,6,6-tetramethyl- (8CI);
PSA 68.90000
LogP 5.45340

2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl- (9Cl) Specification

The 2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl- (9Cl), with the CAS registry number 5745-54-0, is also known as 3,4-Dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one. This chemical's molecular formula is C₂₅H₂₄O₅ and molecular weight is 404.46. What's more, its systematic name is 11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H,12H-dipyrano[2,3-f:2',3'-h]chromen-12-one.

Physical properties of 2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl- (9Cl) are: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.36; (4)ACD/LogD (pH 7.4): 6.36; (5)ACD/BCF (pH 5.5): 40340.12; (6)ACD/BCF (pH 7.4): 40084.4; (7)ACD/KOC (pH 5.5): 68922.31; (8)ACD/KOC (pH 7.4): 68485.4; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 111.89 cm³; (15)Molar Volume: 323.5 cm³; (16)Polarizability: 44.35×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 210.7 °C; (20)Enthalpy of Vaporization: 93.66 kJ/mol; (21)Boiling Point: 608 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C(c1ccc(O)cc1)=C\Oc5c2c3OC(CCc3c4OC(/C=C\c45)(C)C)(C)C
(2)Std. InChI: InChI=1S/C25H24O5/c1-24(2)11-9-16-21(29-24)17-10-12-25(3,4)30-23(17)19-20(27)18(13-28-22(16)19)14-5-7-15(26)8-6-14/h5-9,11,13,26H,10,12H2,1-4H3
(3)Std. InChIKey: FMCWKGDGAHVFMC-UHFFFAOYSA-N

Product Name

ISO-OSAJIN

2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one,3,4-dihydro-11-(4-hydroxyphenyl)-2,2,6,6-tetramethyl- (9Cl) Specification

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