Cas no 223791-61-5 (2-Hexenoic acid, 5-methyl-, methyl ester, (2Z)-)
223791-61-5 structure
Product Name:2-Hexenoic acid, 5-methyl-, methyl ester, (2Z)-
CAS No:223791-61-5
MF:C8H14O2
MW:142.195562839508
CID:1409782
PubChem ID:44119685
Update Time:2025-04-20
2-Hexenoic acid, 5-methyl-, methyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexenoic acid, 5-methyl-, methyl ester, (2Z)-
- (Z)-methyl 5-methyl-2-hexenoate
- Aldrichpp-us apo455832564
- 223791-61-5
- methyl (Z)-5-methylhex-2-enoate
- Methyl 5-methylhex-2-enoate
- 68797-67-1
- (Z)-5-Methyl-2-hexenoic acid methyl ester
- SCHEMBL18294832
-
- Inchi： 1S/C8H14O2/c1-7(2)5-4-6-8(9)10-3/h4,6-7H,5H2,1-3H3/b6-4-
- InChI Key： KNSMNULJDOTFMN-XQRVVYSFSA-N
- SMILES： O(C)C(/C=C\CC(C)C)=O
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Hexenoic acid, 5-methyl-, methyl ester, (2Z)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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