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Cas Database |
| Name |
5,5'-Methylenebis(2-hydroxy-4-methoxybenzophenone) |
EINECS | N/A |
| CAS No. | 138370-37-3 | Density | 1.266 g/cm3 |
| PSA | 93.06000 | LogP | 5.16780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C29H24O6 | Boiling Point | 661.4 °C at 760 mmHg |
| Molecular Weight | 468.506 | Flash Point | 220.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[methanediylbis(6-hydroxy-4-methoxybenzene-3,1-diyl)]bis(phenylmethanone);methanone, 1,1'-[methylenebis(6-hydroxy-4-methoxy-3,1-phenylene)]bis[1-phenyl-;5,5′-Methylenebis(2-hydroxy-4-methoxybenzophenone);Bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane;Methanone, [methylenebis(6-hydroxy-4-methoxy-3,1-phenylene)]bis[phenyl-; |
Article Data | 4 |
5,5'-Methylenebis(2-hydroxy-4-methoxybenzophenone) Specification
The 5,5'-Methylenebis(2-hydroxy-4-methoxybenzophenone), with the cas registry number 138370-37-3, has the systematic name of [methanediylbis(6-hydroxy-4-methoxybenzene-3,1-diyl)]bis(phenylmethanone). And the molecular formula of the chemical is C29H24O6.
The characteristics of this chemical are as followings: (1)ACD/LogP: 7.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.04; (4)ACD/LogD (pH 7.4): 6.59; (5)ACD/BCF (pH 5.5): 132220.06; (6)ACD/BCF (pH 7.4): 46081.64; (7)ACD/KOC (pH 5.5): 160383.84; (8)ACD/KOC (pH 7.4): 55897.35; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 71.06Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 132.27 cm3; (15)Molar Volume: 369.9 cm3; (16)Polarizability: 52.43×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 220.8 °C; (20)Enthalpy of Vaporization: 100.83 kJ/mol; (21)Boiling Point: 661.4 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-18 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)c2cc(c(OC)cc2O)Cc3cc(c(O)cc3OC)C(=O)c4ccccc4
(2)InChI: InChI=1/C29H24O6/c1-34-26-16-24(30)22(28(32)18-9-5-3-6-10-18)14-20(26)13-21-15-23(25(31)17-27(21)35-2)29(33)19-11-7-4-8-12-19/h3-12,14-17,30-31H,13H2,1-2H3
(3)InChIKey: DCBNMBIOGUANTC-UHFFFAOYAZ
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