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CAS No.: | 53193-45-6 |
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Name: | (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C12H14O |
Molecular Weight: | 174.243 |
Synonyms: | Name:2,4,6,8,10-Dodecapentaenal;(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal; |
Density: | 0.907 g/cm3 |
Boiling Point: | 314.7 °C at 760 mmHg |
Flash Point: | 172.6 °C |
PSA: | 17.07000 |
LogP: | 2.98620 |
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This chemical is called 2,4,6,8,10-Dodecapentaenal, and its systematic name is (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenal. With the molecular formula of C12H14O, its molecular weight is 174.24. The CAS registry number of this chemical is 53193-45-6.
Other characteristics of the 2,4,6,8,10-Dodecapentaenal can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.31; (6)ACD/BCF (pH 7.4): 65.31; (7)ACD/KOC (pH 5.5): 693.08; (8)ACD/KOC (pH 7.4): 693.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 58.11 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 23.04×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 172.6 °C; (20)Enthalpy of Vaporization: 55.59 kJ/mol; (21)Boiling Point: 314.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000458 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\C=C\C=C\C=C\C=C\C=C\C
2.InChI: InChI=1/C12H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+
3.InChIKey: NLPJEWTYXLOFLM-GNUNTXLABQ