Cas no 76899-35-9 (Eicosenoic acid, methylester, (Z)-)
76899-35-9 structure
Product Name:Eicosenoic acid, methylester, (Z)-
CAS No:76899-35-9
MF:C21H40O2
MW:324.541107177734
CID:571366
PubChem ID:13908975
Update Time:2025-04-19
Eicosenoic acid, methylester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- Eicosenoic acid, methylester, (Z)-
- 2-eicosenoic acid, methyl ester, (2Z)-
- Methyl (2Z)-icos-2-enoate
- SCHEMBL17747586
- XEJYCWVISZMIDA-SEYXRHQNSA-N
- 67810-35-9
- UNII-POU3PPS30J
- 9(Z)-EICOSENOIC ACID METHYL ESTER
- POU3PPS30J
- methyl gadoleate
- 9-Eicosenoic acid, methyl ester, (Z)-
- Q27893787
- DTXSID60880385
- Methyl 9-eicosenoate
- 76899-35-9
- Eicosenoic acid, methyl ester, (Z)-
-
- Inchi： 1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
- InChI Key： XEJYCWVISZMIDA-SEYXRHQNSA-N
- SMILES： O(C)C(CCCCCCC/C=C\CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 324.303
- Monoisotopic Mass: 324.302831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 8.7
Experimental Properties
- Refractive Index: 1.455
- PSA: 26.3
Eicosenoic acid, methylester, (Z)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
76899-35-9 (Eicosenoic acid, methylester, (Z)-) Related Products
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- 2396-77-2(2-Hexenoic acid, methyl ester)
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