Cas no 17349-87-0 (Undecanoic acid, 4-oxo-, methyl ester)
17349-87-0 structure
Product Name:Undecanoic acid, 4-oxo-, methyl ester
CAS No:17349-87-0
MF:C12H22O3
MW:214.301284313202
CID:1358038
PubChem ID:13301942
Update Time:2025-04-20
Undecanoic acid, 4-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid, 4-oxo-, methyl ester
- 4-Oxoundecanoic acid methyl ester
- methyl 4-oxoundecanoate
- AKOS010909868
- 17349-87-0
-
- Inchi： 1S/C12H22O3/c1-3-4-5-6-7-8-11(13)9-10-12(14)15-2/h3-10H2,1-2H3
- InChI Key： GQNZIROMDAQHBC-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)OC)CCCCCCC
Computed Properties
- Exact Mass: 214.15689456g/mol
- 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: 2.7
- Topological Polar Surface Area: 43.4?2
Undecanoic acid, 4-oxo-, methyl ester Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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