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| CAS No.: | 71440-79-4 |
|---|---|
| Name: | NAPHTHACENE-5,12-DICARBOXALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C20H12O2 |
| Molecular Weight: | 284.314 |
| Synonyms: | Benz[b]anthracene-5,12-dicarboxaldehyde;tetracene-5,12-dicarbaldehyde;Naphthacene-5,12-dicarboxaldehyde; |
| Density: | 1.321 g/cm3 |
| Boiling Point: | 557.5 °C at 760 mmHg |
| Flash Point: | 204.1 °C |
| PSA: | 34.14000 |
| LogP: | 4.77120 |
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- Total:3 Page 1 of 1 1
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Specification
The 5,12-Naphthacenedicarboxaldehyde, with the CAS registry number 71440-79-4, has the systematic name and IUPAC name of tetracene-5,12-dicarbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C20H12O2.
The characteristics of 5,12-Naphthacenedicarboxaldehyde are as followings: (1)ACD/LogP: 4.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.75; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 2414.55; (6)ACD/BCF (pH 7.4): 2414.55; (7)ACD/KOC (pH 5.5): 9183.97; (8)ACD/KOC (pH 7.4): 9183.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.815; (14)Molar Refractivity: 93.28 cm3; (15)Molar Volume: 215.1 cm3; (16)Polarizability: 36.98×10-24cm3; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 204.1 °C; (20)Enthalpy of Vaporization: 83.93 kJ/mol; (21)Boiling Point: 557.5 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-12 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc3c1ccccc1c(C=O)c2cc4ccccc4cc23
(2)InChI: InChI=1/C20H12O2/c21-11-19-15-7-3-4-8-16(15)20(12-22)18-10-14-6-2-1-5-13(14)9-17(18)19/h1-12H
(3)InChIKey: RXDJVBXMOZKSHS-UHFFFAOYAQ