Cas no 87711-74-8 (Heptanoic acid, 2-ethylidene-, methyl ester, (E)-)
87711-74-8 structure
Product Name:Heptanoic acid, 2-ethylidene-, methyl ester, (E)-
CAS No:87711-74-8
MF:C10H18O2
MW:170.248723506927
CID:653194
PubChem ID:71412298
Update Time:2025-04-19
Heptanoic acid, 2-ethylidene-, methyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2-ethylidene-, methyl ester, (E)-
- methyl 2-ethylideneheptanoate
- 87711-74-8
- DTXSID50831861
-
- Inchi： 1S/C10H18O2/c1-4-6-7-8-9(5-2)10(11)12-3/h5H,4,6-8H2,1-3H3
- InChI Key： QFIBJUDARFJYHG-UHFFFAOYSA-N
- SMILES： O(C)C(C(=CC)CCCCC)=O
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.4
- Topological Polar Surface Area: 26.3?2
Heptanoic acid, 2-ethylidene-, methyl ester, (E)- Related Literature
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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
87711-74-8 (Heptanoic acid, 2-ethylidene-, methyl ester, (E)-) Related Products
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