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| CAS No.: | 86361-55-9 |
|---|---|
| Name: | 2-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,3-benzenediol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H12 O4 |
| Molecular Weight: | 244.247 |
| Synonyms: | 1,3-Benzenediol,2-[2-(3,5-dihydroxyphenyl)ethenyl]-, (E)-;Gnetol;5-[(E)-2-(2,6-Dihydroxyphenyl)vinyl]benzene-1,3-diol; |
| EINECS: | 617-839-9 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 87～90 ºC |
| Boiling Point: | 540.8 °C at 760 mmHg |
| Flash Point: | 269.7 °C |
| PSA: | 80.92000 |
| LogP: | 2.67940 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
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- Total:26 Page 1 of 1 1
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Specification
The CAS registry number of 1,3-Benzenediol,2-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]- is 86361-55-9. The systematic name is 5-[(E)-2-(2,6-dihydroxyphenyl)vinyl]benzene-1,3-diol. In addition, the molecular formula is C14H12O4 and the molecular weight is 244.24. What's more, it should be stored in sealed container, and put them in a cool and dry place.
Physical properties about 1,3-Benzenediol,2-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]- are: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 3.73; (3)ACD/LogD (pH 7.4): 3.71; (4)#H bond acceptors: 4; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 80.92 Å2; (8)Index of Refraction: 1.8; (9)Molar Refractivity: 71.17 cm3; (10)Molar Volume: 166.3 cm3; (11)Polarizability: 28.21 ×10-24cm3; (12)Surface Tension: 82.9 dyne/cm; (13)Density: 1.468 g/cm3; (14)Flash Point: 269.7 °C; (15)Enthalpy of Vaporization: 84.93 kJ/mol; (16)Boiling Point: 540.8 °C at 760 mmHg; (17)Vapour Pressure: 2.61E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cccc(O)c2/C=C/c1cc(O)cc(O)c1
(2)Std. InChI: InChI=1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+
(3)Std. InChIKey: DQULNTWGBBNZSC-SNAWJCMRSA-N