Cas no 87900-05-8 (Tridecanoic acid, 3-oxo-, methyl ester)
87900-05-8 structure
Product Name:Tridecanoic acid, 3-oxo-, methyl ester
CAS No:87900-05-8
MF:C14H26O3
MW:242.354444980621
CID:650922
PubChem ID:14666096
Update Time:2025-04-19
Tridecanoic acid, 3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid, 3-oxo-, methyl ester
- methyl 3-oxotridecanoate
- SCHEMBL6138719
- DTXSID00562779
- 87900-05-8
-
- Inchi： 1S/C14H26O3/c1-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17-2/h3-12H2,1-2H3
- InChI Key： MGQBBYDQFRXTMY-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)OC)CCCCCCCCCC
Computed Properties
- Exact Mass: 242.18819469g/mol
- Monoisotopic Mass: 242.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 212
- 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: 4.6
- Topological Polar Surface Area: 43.4?2
Tridecanoic acid, 3-oxo-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
87900-05-8 (Tridecanoic acid, 3-oxo-, methyl ester) Related Products
- 4949-44-4(Ethyl 3-oxopentanoate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
- 624-45-3(Methyl levulinate)
- 13984-50-4(Methyl 5-oxohexanoate)
- 1842-70-2(Methyl 10-Oxooctadecanoate)
- 105-45-3(methyl 3-oxobutanoate)
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