Cas no 66242-01-1 (Prop-2-en-1-yl hepta-2,6-dienoate)
66242-01-1 structure
Product Name:Prop-2-en-1-yl hepta-2,6-dienoate
CAS No:66242-01-1
MF:C10H14O2
MW:166.216963291168
CID:2795494
PubChem ID:71369646
Update Time:2025-04-21
Prop-2-en-1-yl hepta-2,6-dienoate Chemical and Physical Properties
Names and Identifiers
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- Prop-2-en-1-yl hepta-2,6-dienoate
- DTXSID50792660
- 66242-01-1
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- Inchi： 1S/C10H14O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-4,7-8H,1-2,5-6,9H2
- InChI Key： ISCBKQOCQRFVKZ-UHFFFAOYSA-N
- SMILES： O(CC=C)C(C=CCCC=C)=O
Computed Properties
- Exact Mass: 166.099379685Da
- Monoisotopic Mass: 166.099379685Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 180
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Prop-2-en-1-yl hepta-2,6-dienoate Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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