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677354-23-3

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Basic Information
CAS No.: 677354-23-3
Name: cis-Δ2-11-methyl-Dodecenoic Acid
Article Data: 4
Molecular Structure:
Molecular Structure of 677354-23-3 (cis-Δ2-11-methyl-Dodecenoic Acid)
Formula: C13H24O2
Molecular Weight: 212.33
Synonyms: 2-Dodecenoic acid, 11-methyl-, (2Z)-
Density: 0.916 g/cm3
Boiling Point: 322.28 °C at 760 mmHg
Flash Point: 226.505 °C
Hazard Symbols: Xi,N
Risk Codes: 36/38-51/53
Safety: 26-61
PSA: 37.30000
LogP: 4.01390
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Specification

The 2-Dodecenoic acid, 11-methyl-, (2Z)- is the organic compound with the formula C13H24O2. With the CAS registry number 677354-23-3, its systematic name is (2Z)-11-methyldodec-2-enoic acid.

Physical properties of 2-Dodecenoic acid, 11-methyl-, (2Z)-: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 1213; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 3345; (8)ACD/KOC (pH 7.4): 54; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 63.857 cm3; (14)Molar Volume: 231.74 cm3; (15)Surface Tension: 33.074 dyne/cm; (16)Density: 0.916 g/cm3; (17)Flash Point: 226.505 °C; (18)Enthalpy of Vaporization: 62.02 kJ/mol; (19)Boiling Point: 322.28 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/CCCCCCCC(C)C
(2)InChI: InChI=1/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
(3)InChIKey: SNTXNGAQYNSTHI-LUAWRHEFBN