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CAS No.: | 33033-34-0 |
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Name: | 2,3,6,7-TETRAMETHOXY-1-NAPHTHALENEALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H16O5 |
Molecular Weight: | 276.289 |
Synonyms: | 1-Naphthaldehyde,2,3,6,7-tetramethoxy- (8CI); |
Density: | 1.194 g/cm3 |
Boiling Point: | 430.5 °C at 760 mmHg |
Flash Point: | 191.8 °C |
Hazard Symbols: | Xi |
PSA: | 53.99000 |
LogP: | 2.68670 |
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This chemical is called 1-Naphthalenecarboxaldehyde,2,3,6,7-tetramethoxy-, and its systematic name is 2,3,6,7-tetramethoxynaphthalene-1-carbaldehyde. With the molecular formula of C15H16O5, its molecular weight is 276.2845. The CAS registry number of this chemical is 33033-34-0.
Other characteristics of the 1-Naphthalenecarboxaldehyde,2,3,6,7-tetramethoxy-can be summarised as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 53.99 ?2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 77.56 cm3; (11)Molar Volume: 231.2 cm3; (12)Polarizability: 30.74×10-24cm3; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.194 g/cm3; (15)Flash Point: 191.8 °C; (16)Enthalpy of Vaporization: 68.59 kJ/mol; (17)Boiling Point: 430.5 °C at 760 mmHg; (18)Vapour Pressure: 1.29E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc2cc(OC)c(OC)c(c2cc1OC)C=O
2.InChI: InChI=1/C15H16O5/c1-17-12-5-9-6-14(19-3)15(20-4)11(8-16)10(9)7-13(12)18-2/h5-8H,1-4H3
3.InChIKey: XZSIDMHSOZGDNI-UHFFFAOYAY