Cas no 470662-52-3 (9,11,13,15-Octadecatetraenoic acid, (9Z,11E,13E,15E)-)
470662-52-3 structure
Product Name:9,11,13,15-Octadecatetraenoic acid, (9Z,11E,13E,15E)-
CAS No:470662-52-3
MF:C18H28O2
MW:276.413725852966
CID:2694568
Update Time:2025-03-26
9,11,13,15-Octadecatetraenoic acid, (9Z,11E,13E,15E)- Chemical and Physical Properties
Names and Identifiers
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- 9,11,13,15-Octadecatetraenoic acid, (9Z,11E,13E,15E)-
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- Inchi： 1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3+,6-5+,8-7+,10-9-
- InChI Key： IJTNSXPMYKJZPR-DMIMTURISA-N
- SMILES： C(O)(=O)CCCCCCC/C=C\C=C\C=C\C=C\CC
Computed Properties
- Exact Mass: 276.209
- Monoisotopic Mass: 276.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 4
- XLogP3: 5.9
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 0.937
- Boiling Point: 400.2°Cat760mmHg
- Flash Point: 297°C
- Refractive Index: 1.503
- PSA: 37.30000
- LogP: 5.43650
- pka: 4.78±0.10(Predicted)
9,11,13,15-Octadecatetraenoic acid, (9Z,11E,13E,15E)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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