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4313-02-4

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Basic Information
CAS No.: 4313-02-4
Name: 2,4-heptadienal,(E,Z)-2,4-heptadienal
Article Data: 5
Molecular Structure:
Molecular Structure of 4313-02-4 (2,4-heptadienal,(E,Z)-2,4-heptadienal)
Formula: C7H10O
Molecular Weight: 110.156
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;
Density: 0.824 g/cm3
Boiling Point: 129.2 °C at 760 mmHg
Flash Point: 28.8 °C
PSA: 17.07000
LogP: 1.70770
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Specification

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