The 2,4,7-Tridecatrienal,(2E,4Z,7Z)-, with the CAS registry number 13552-96-0, is also known as 2-trans,4-cis,7-cis-Tridecatrienal. Its EINECS registry number is 236-936-3. This chemical's molecular formula is C13H20O and molecular weight is 192.2973. Its IUPAC name is called (2E,4Z,7Z)-trideca-2,4,7-trienal.
Physical properties of 2,4,7-Tridecatrienal,(2E,4Z,7Z)-: (1)ACD/LogP: 4.26; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 8; (4)Index of Refraction: 1.477; (5)Molar Refractivity: 62.63 cm3; (6)Molar Volume: 221.2 cm3; (7)Surface Tension: 30.4 dyne/cm; (8)Density: 0.869 g/cm3; (9)Flash Point: 149 °C; (10)Enthalpy of Vaporization: 55.03 kJ/mol; (11)Boiling Point: 309.5 °C at 760 mmHg; (12)Vapour Pressure: 0.000637 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CCC=CC=CC=O
(2)Isomeric SMILES: CCCCC/C=C\C/C=C\C=C\C=O
(3)InChI: InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9-,12-11+
(4)InChIKey: BIXIZZVISIZZDM-JSHIYTDESA-N
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