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| CAS No.: | 21345-01-7 |
|---|---|
| Name: | 5-Phenoxy-1,3-isobenzofurandione |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C14H8O4 |
| Molecular Weight: | 240.215 |
| Synonyms: | 5-Phenoxy-1,3-isobenzofurandione; |
| EINECS: | 1533716-785-6 |
| Density: | 1.387 g/cm3 |
| Melting Point: | 112-113°C |
| Boiling Point: | 414.9 °C at 760 mmHg |
| Flash Point: | 187.8 °C |
| PSA: | 52.60000 |
| LogP: | 2.78950 |
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- Total:21 Page 1 of 1 1
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Specification
This chemical is called 4-Phenoxyphthalic anhydride, and it can also be named as 5-Phenoxy-1,3-isobenzofurandione. With the molecular formula of C14H8O4, its molecular weight is 240.21. The CAS registry number of this chemical is 21345-01-7.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 316.01; (6)ACD/BCF (pH 7.4): 316.01; (7)ACD/KOC (pH 5.5): 2142.36; (8)ACD/KOC (pH 7.4): 2142.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 62.12 cm3; (15)Molar Volume: 173.1 cm3; (16)Polarizability: 24.62×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.387 g/cm3; (19)Flash Point: 187.8 °C; (20)Enthalpy of Vaporization: 66.79 kJ/mol; (21)Boiling Point: 414.9 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(=O)c2cc(ccc12)Oc3ccccc
2.InChI: InChI=1/C14H8O4/c15-13-11-7-6-10(8-12(11)14(16)18-13)17-9-4-2-1-3-5-9/h1-8H
3.InChIKey: HDQBHDKNRKRCNH-UHFFFAOYAH