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Basic Information
CAS No.: 71440-79-4
Name: NAPHTHACENE-5,12-DICARBOXALDEHYDE
Article Data: 4
Molecular Structure:
Molecular Structure of 71440-79-4 (NAPHTHACENE-5,12-DICARBOXALDEHYDE)
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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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