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CAS No.: | 3490-49-1 |
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Name: | 2-phenoxycyclohexa-2,5-diene-1,4-dione |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H8O3 |
Molecular Weight: | 200.194 |
Synonyms: | p-Benzoquinone,phenoxy- (7CI,8CI);2-Phenoxy-1,4-benzoquinone;NSC 75681;2-Phenoxy-[1,4]benzoquinone;2-Phenoxycyclohexa-2,5-diene-1,4-dione; |
Density: | 1.304 g/cm3 |
Boiling Point: | 313.3 °C at 760 mmHg |
Flash Point: | 137.9 °C |
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The 2,5-Cyclohexadiene-1,4-dione,2-phenoxy-, with the CAS registry number 3490-49-1, is also known as 2-Phenoxy-[1,4]benzoquinone. This chemical's molecular formula is C12H8O3 and molecular weight is 200.19. What's more, its systematic name is 2-phenoxycyclohexa-2,5-diene-1,4-dione.
Physical properties of 2,5-Cyclohexadiene-1,4-dione,2-phenoxy- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 53.43 cm3; (9)Molar Volume: 153.5 cm3; (10)Polarizability: 21.18×10-24cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.304 g/cm3; (13)Flash Point: 137.9 °C; (14)Enthalpy of Vaporization: 55.43 kJ/mol; (15)Boiling Point: 313.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000502 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C\C(=O)\C=C2\Oc1ccccc1
(2)InChI: InChI=1S/C12H8O3/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H
(3)InChIKey: YKYILJANBFCBQH-UHFFFAOYSA-N