Cas no 2380-19-0 (Octadecanoic acid, 4-oxo-, methyl ester)
2380-19-0 structure
Product Name:Octadecanoic acid, 4-oxo-, methyl ester
CAS No:2380-19-0
MF:C19H36O3
MW:312.48734664917
CID:1415156
Update Time:2024-08-15
Octadecanoic acid, 4-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 4-oxo-, methyl ester
- methyl 4-oxooctadecanoate
- 4-Ketostearic acid methyl ester
- 4-Oxooctadecanoic acid methyl ester
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- Inchi： 1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19(21)22-2/h3-17H2,1-2H3
- InChI Key： UIUPUTHABPRTHT-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCC(CCC(OC)=O)=O
Computed Properties
- Exact Mass: 312.26658
- Monoisotopic Mass: 312.266
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 17
- Complexity: 274
- 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
Experimental Properties
- PSA: 43.37
Octadecanoic acid, 4-oxo-, methyl ester Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
2380-19-0 (Octadecanoic acid, 4-oxo-, methyl ester) Related Products
- 106-79-6(Dimethyl sebacate)
- 112-39-0(Methyl palmitate)
- 110-42-9(Methyl decanoate)
- 539-88-8(Ethyl levulinate)
- 627-91-8(Monomethyl adipate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1731-79-9(Dimethyl dodecanedioate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
- 624-45-3(Methyl levulinate)
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