Cas no 143814-66-8 (Methyl 12-acetyl-13-oxotetradecanoate)
143814-66-8 structure
Product Name:Methyl 12-acetyl-13-oxotetradecanoate
CAS No:143814-66-8
MF:C17H30O4
MW:298.417706012726
CID:2776750
PubChem ID:71345304
Update Time:2025-04-21
Methyl 12-acetyl-13-oxotetradecanoate Chemical and Physical Properties
Names and Identifiers
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- 143814-66-8
- METHYL 12-ACETYL-13-OXOTETRADECANOATE
- DTXSID00771602
- Methyl 12-acetyl-13-oxotetradecanoate
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- Inchi： 1S/C17H30O4/c1-14(18)16(15(2)19)12-10-8-6-4-5-7-9-11-13-17(20)21-3/h16H,4-13H2,1-3H3
- InChI Key： NQYGXNPPYBINSR-UHFFFAOYSA-N
- SMILES： O=C(C)C(C(C)=O)CCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 298.21440943Da
- Monoisotopic Mass: 298.21440943Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 309
- 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: 4.2
- Topological Polar Surface Area: 60.4?2
Methyl 12-acetyl-13-oxotetradecanoate Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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