Cas no 18993-09-4 (methyl 10-oxoundecanoate)
methyl 10-oxoundecanoate structure
Product Name:methyl 10-oxoundecanoate
CAS No:18993-09-4
MF:C12H22O3
MW:214.301284313202
CID:1383065
PubChem ID:519622
Update Time:2025-04-20
methyl 10-oxoundecanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 10-oxoundecanoate
- undecanoic acid, 10-oxo-, methyl ester
- Methyl 11-oxoundecanoate
- 10-Oxoundecanoic acid methyl ester
- 10-Ketoundecylic acid methyl ester
- 9-Acetylpelargonic acid methyl ester
- DTXSID40334093
- 10-oxo-undecanoic acid methyl ester
- SCHEMBL6421942
- Q63399747
- 10-Oxo-undecanoic methyl ester
- 18993-09-4
-
- Inchi： 1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3
- InChI Key： TXRMRSKJQBFMRQ-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCC(C)=O)=O
Computed Properties
- Exact Mass: 214.15696
- Monoisotopic Mass: 214.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 187
- 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: 2.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
methyl 10-oxoundecanoate Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
18993-09-4 (methyl 10-oxoundecanoate) Related Products
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- 30414-53-0(Methyl 3-oxopentanoate)
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