Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4-Heptadienal,(2E,4Z)- |
EINECS | N/A |
CAS No. | 4313-02-4 | Density | 0.824 g/cm3 |
PSA | 17.07000 | LogP | 1.70770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H10O | Boiling Point | 129.2 °C at 760 mmHg |
Molecular Weight | 110.156 | Flash Point | 28.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Heptadienal,(E,Z)- (8CI);(2E,4Z)-2,4-Heptadienal;(2E,4Z)-Heptadienal;(E,Z)-2,4-Heptadienal;2E,4Z-Heptadienal;trans-2-cis-4-Heptadienal; |
Article Data | 5 |
The 2,4-Heptadienal,(2E,4Z)-, with the CAS registry number 4313-02-4, is also known as (E,Z)-2,4-Heptadienal. This chemical's molecular formula is C7H10O and molecular weight is 110.15. What's more, its IUPAC name is (2E,4Z)-hepta-2,4-dienal.
Physical properties of 2,4-Heptadienal,(2E,4Z)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.77; (6)ACD/BCF (pH 7.4): 29.77; (7)ACD/KOC (pH 5.5): 394.92; (8)ACD/KOC (pH 7.4): 394.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 34.7 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 13.75×10-24cm3; (17)Surface Tension: 15.4 dyne/cm; (18)Density: 0.824 g/cm3; (19)Flash Point: 28.8 °C; (20)Enthalpy of Vaporization: 36.69 kJ/mol; (21)Boiling Point: 129.2 °C at 760 mmHg; (22)Vapour Pressure: 10.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CC=CC=O
(2)Isomeric SMILES: CC/C=C\C=C\C=O
(3)InChI: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3-,6-5+
(4)InChIKey: SATICYYAWWYRAM-DNVGVPOPSA-N