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CAS No.: | 21944-83-2 |
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Name: | 3,6-nonadienal,(Z,Z)-3,6-nonadienal |
Article Data: | 2 |
Molecular Structure: | |
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Formula: | C9H14O |
Molecular Weight: | 138.21 |
Synonyms: | 3,6-Nonadienal,(Z,Z)- (8CI);(Z,Z)-3,6-Nonadienal;cis,cis-3,6-Nonadienal; |
Density: | 0.855 g/cm3 |
Boiling Point: | 201.8 °C at 760 mmHg |
Flash Point: | 70.5 °C |
PSA: | 17.07000 |
LogP: | 2.48790 |
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The 3, 6-Nonadienal, (3Z, 6Z)-, with the CAS registry number 21944-83-2, is also known as (Z, Z)-3, 6-Nonadienal. This chemical's molecular formula is C9H14O and molecular weight is 138.21. What's more, its systematic name is (3Z, 6Z)-Nona-3, 6-dienal.
Physical properties about 3, 6-Nonadienal, (3Z, 6Z)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.4; (6)ACD/BCF (pH 7.4): 89.4; (7)ACD/KOC (pH 5.5): 867.7; (8)ACD/KOC (pH 7.4): 867.7; (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: 1.457; (14)Molar Refractivity: 44.04 cm3; (15)Molar Volume: 161.6 cm3; (16)Polarizability: 17.46×10-24 cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.855 g/cm3; (19)Flash Point: 70.5 °C; (20)Enthalpy of Vaporization: 43.8 kJ/mol; (21)Boiling Point: 201.8 °C at 760 mmHg; (22)Vapour Pressure: 0.302 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CC\C=C/C\C=C/CC
(2) InChI: InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-
(3) InChIKey: FIDBXHOCOXRPRO-CWWKMNTPBU