Cas no 69668-84-4 (3-Hexenoic acid, butyl ester, (Z)-)
69668-84-4 structure
Product Name:3-Hexenoic acid, butyl ester, (Z)-
CAS No:69668-84-4
MF:C10H18O2
MW:170.248723506927
CID:391513
PubChem ID:5362621
Update Time:2025-04-19
3-Hexenoic acid, butyl ester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexenoic acid, butyl ester, (Z)-
- (Z)-3-Hexenoic acid butyl ester
- butyl (Z)-hex-3-enoate
- butyl cis-hex-3-enoate
- Butyl (Z)-3-hexenoate
- Butyl (3Z)-3-hexenoate #
- 69668-84-4
- SCHEMBL1759155
-
- Inchi： 1S/C10H18O2/c1-3-5-7-8-10(11)12-9-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5-
- InChI Key： XZKZOAYDHBSAQW-ALCCZGGFSA-N
- SMILES： O(C(C/C=C\CC)=O)CCCC
Computed Properties
- Exact Mass: 170.13074
- 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: 7
- Complexity: 139
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Hexenoic acid, butyl ester, (Z)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
69668-84-4 (3-Hexenoic acid, butyl ester, (Z)-) Related Products
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