Cas no 87919-76-4 (3-Hexenoic acid, 3,4-dimethyl-)
87919-76-4 structure
Product Name:3-Hexenoic acid, 3,4-dimethyl-
CAS No:87919-76-4
MF:C8H14O2
MW:142.195562839508
CID:650696
PubChem ID:71411803
Update Time:2025-04-19
3-Hexenoic acid, 3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexenoic acid, 3,4-dimethyl-
- 3,4-dimethylhex-3-enoic acid
- 87919-76-4
- DTXSID30831389
-
- Inchi: 1S/C8H14O2/c1-4-6(2)7(3)5-8(9)10/h4-5H2,1-3H3,(H,9,10)
- InChI Key: MMWHMSCZTCZHKJ-UHFFFAOYSA-N
- SMILES: OC(CC(C)=C(C)CC)=O
Computed Properties
- Exact Mass: 142.099379685g/mol
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 157
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
3-Hexenoic acid, 3,4-dimethyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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