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54340-72-6

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Basic Information
CAS No.: 54340-72-6
Name: 2-Heptenoic acid, ethyl ester, (2E)-
Article Data: 32
Molecular Structure:
Molecular Structure of 54340-72-6 (2-Heptenoic acid, ethyl ester, (2E)-)
Formula: C9H16O2
Molecular Weight: 156.225
Synonyms: 2-Heptenoicacid, ethyl ester, (E)-;(E)-Ethyl 2-heptenoate;Ethyl (E)-2-heptenoate;Ethyl(E)-2-heptenoate;
Density: 0.896 g/cm3
Boiling Point: 194.6 °C at 760 mmHg
Flash Point: 77.9 °C
PSA: 26.30000
LogP: 2.29590
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Specification

The CAS register number of 2-Heptenoicacid, ethyl ester, (2E)- is 54340-72-6. It also can be called as Ethyl (E)-2-heptenoate and the IUPAC name about this chemical is ethyl (E)-hept-2-enoate. The molecular formula about this chemical is C9H16O2 and the molecular weight is 156.22484.

Physical properties about 2-Heptenoicacid, ethyl ester, (2E)- are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 243.1; (5)ACD/BCF (pH 7.4): 243.1; (6)ACD/KOC (pH 5.5): 1775.63; (7)ACD/KOC (pH 7.4): 1775.63; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 45.57 cm3; (13)Molar Volume: 174.1 cm3; (14)Polarizability: 18.06x10-24cm3; (15)Surface Tension: 28.4 dyne/cm; (16)Density: 0.896 g/cm3; (17)Flash Point: 77.9 °C; (18)Enthalpy of Vaporization: 43.08 kJ/mol; (19)Boiling Point: 194.6 °C at 760 mmHg; (20)Vapour Pressure: 0.437 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)/C=C/CCCC
(2)InChI: InChI=1/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3/b8-7+
(3)InChIKey: CYLQPOIZDBIXFP-BQYQJAHWBN
(4)Std. InChI: InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3/b8-7+
(5)Std. InChIKey:CYLQPOIZDBIXFP-BQYQJAHWSA-N