Cas no 113081-88-2 (methyl 2-acetylundecanoate)
methyl 2-acetylundecanoate structure
Product Name:methyl 2-acetylundecanoate
CAS No:113081-88-2
MF:C14H26O3
MW:242.354444980621
CID:2609979
PubChem ID:10633938
Update Time:2025-04-21
methyl 2-acetylundecanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-acetylundecanoate
- DTXSID30442813
- 113081-88-2
- HCSJAMNXGUVNNQ-UHFFFAOYSA-N
- DTXCID30393634
- Undecanoic acid, 2-acetyl-, methyl ester
-
- Inchi： 1S/C14H26O3/c1-4-5-6-7-8-9-10-11-13(12(2)15)14(16)17-3/h13H,4-11H2,1-3H3
- InChI Key： HCSJAMNXGUVNNQ-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(C)=O)CCCCCCCCC)=O
Computed Properties
- Exact Mass: 242.18819469Da
- Monoisotopic Mass: 242.18819469Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 43.4?2
methyl 2-acetylundecanoate Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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