Cas no 61549-52-8 (4-Hexenoic acid, 4,5-dimethyl-, methyl ester)
61549-52-8 structure
Product Name:4-Hexenoic acid, 4,5-dimethyl-, methyl ester
CAS No:61549-52-8
MF:C9H16O2
MW:156.222143173218
CID:475228
PubChem ID:14919647
Update Time:2025-04-19
4-Hexenoic acid, 4,5-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexenoic acid, 4,5-dimethyl-, methyl ester
- methyl 4,5-dimethylhex-4-enoate
- 61549-52-8
- DTXSID70565414
-
- Inchi： 1S/C9H16O2/c1-7(2)8(3)5-6-9(10)11-4/h5-6H2,1-4H3
- InChI Key： PHRALNJWHMTZJA-UHFFFAOYSA-N
- SMILES： O(C)C(CC/C(/C)=C(\C)/C)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4-Hexenoic acid, 4,5-dimethyl-, methyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
61549-52-8 (4-Hexenoic acid, 4,5-dimethyl-, methyl ester) Related Products
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