Cas no 10411-44-6 (Eicosanoic acid,14-oxo-, methyl ester)
10411-44-6 structure
Product Name:Eicosanoic acid,14-oxo-, methyl ester
CAS No:10411-44-6
MF:C21H40O3
MW:340.540507316589
CID:210407
PubChem ID:292508
Update Time:2025-04-19
Eicosanoic acid,14-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Eicosanoic acid,14-oxo-, methyl ester
- methyl 14-oxoicosanoate
- AC1L6I5C
- AC1Q5H8C
- AG-D-15912
- AR-1J4300
- CTK4A2710
- Methyl-14-ketoeicosanoat
- NSC158318
- methyl 14-ketoeicosanoate
- 10411-44-6
- SCHEMBL20637044
- NSC-158318
- DTXSID90303431
-
- Inchi： 1S/C21H40O3/c1-3-4-5-14-17-20(22)18-15-12-10-8-6-7-9-11-13-16-19-21(23)24-2/h3-19H2,1-2H3
- InChI Key： ZNMCAAXUXSFINQ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCC)CCCCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 340.2979
- Monoisotopic Mass: 340.298
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 0.906
- Boiling Point: 423.1°Cat760mmHg
- Flash Point: 178.2°C
- Refractive Index: 1.45
- PSA: 43.37
- LogP: 6.38010
Eicosanoic acid,14-oxo-, methyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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