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35234-16-3

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Basic Information
CAS No.: 35234-16-3
Name: METHYL-3-OCTENOATE
Article Data: 10
Molecular Structure:
Molecular Structure of 35234-16-3 (METHYL-3-OCTENOATE)
Formula: C9H16O2
Molecular Weight: 156.225
Synonyms: 3-Octenoicacid, methyl ester, (E)-;Methyl (E)-3-octenoate;Methyl trans-3-octenoate;trans-3-Octenoic acid methyl ester;
EINECS: 252-450-4
Density: 0.897 g/cm3
Boiling Point: 191.523 °C at 760 mmHg
Flash Point: 70.386 °C
PSA: 26.30000
LogP: 2.29590
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Specification

The Methyl (E)oct-3-enoate, with the CAS registry number 35234-16-3, is also known as trans-3-Octenoic acid methyl ester. Its EINECS number is 252-450-4. This chemical's molecular formula is C9H16O2 and molecular weight is 156.22. What's more, its systematic name is Methyl (3E)-3-octenoate.

Physical properties of Methyl (E)oct-3-enoate are: (1)ACD/LogP: 2.876; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.31; (6)ACD/BCF (pH 7.4): 90.31; (7)ACD/KOC (pH 5.5): 874.01; (8)ACD/KOC (pH 7.4): 874.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 45.577 cm3; (15)Molar Volume: 174.193 cm3; (16)Polarizability: 18.068×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.897 g/cm3; (19)Flash Point: 70.386 °C; (20)Enthalpy of Vaporization: 42.772 kJ/mol; (21)Boiling Point: 191.523 °C at 760 mmHg; (22)Vapour Pressure: 0.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C/C=C/CCCC
(2)Std. InChI: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h6-7H,3-5,8H2,1-2H3/b7-6+
(3)Std. InChIKey: HAGXFSMJELVHFJ-VOTSOKGWSA-N