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CAS No.: | 20765-04-2 |
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Name: | 2,5-diethoxycyclohexa-2,5-diene-1,4-dione |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | 2,5-diethoxycyclohexa-2,5-diene-1,4-dione;2,5-diethoxy-1,4-benzoquinone; |
Density: | 1.16 g/cm3 |
Boiling Point: | 333.7 °C at 760 mmHg |
Flash Point: | 148.5 °C |
PSA: | 52.60000 |
LogP: | 0.97900 |
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The 2,5-Diethoxybenzo-1,4-quinone, with CAS registry number 20765-04-2, has the systematic name of 2,5-diethoxycyclohexa-2,5-diene-1,4-dione. And its IUPAC name is the same one. Besides this, it is also called 2,5-cyclohexadiene-1,4-dione, 2,5-diethoxy-. And the chemical formula of this chemical is C10H12O4.
Physical properties of 2,5-Diethoxybenzo-1,4-quinone: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.498; (8)Molar Refractivity: 49.37 cm3; (9)Molar Volume: 168.4 cm3; (10)Polarizability: 19.57×10-24cm3; (11)Surface Tension: 38.5 dyne/cm; (12)Enthalpy of Vaporization: 57.65 kJ/mol; (13)Vapour Pressure: 0.000135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C(/OCC)C(=O)\C=C1\OCC
(2)InChI: InChI=1/C10H12O4/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3
(3)InChIKey: XMTVIMLHAWZAAB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O4/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: XMTVIMLHAWZAAB-UHFFFAOYSA-N