Cas no 54068-86-9 (2-Hexenoic acid, 3-methyl-, (2Z)-)
54068-86-9 structure
Product Name:2-Hexenoic acid, 3-methyl-, (2Z)-
CAS No:54068-86-9
MF:C7H12O2
MW:128.168982505798
CID:355630
PubChem ID:44256498
Update Time:2025-04-19
2-Hexenoic acid, 3-methyl-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexenoic acid, 3-methyl-, (2Z)-
- LMFA01030794
- Z-3-Methyl-2-hexenoic acid
- CHEBI:179467
- 3-Methyl-2Z-hexenoic acid
- NTWSIWWJPQHFTO-WAYWQWQTSA-N
- AKOS027382349
- (Z)-3-Methylhex-2-enoic acid
- (2Z)-3-METHYLHEX-2-ENOIC ACID
- SCHEMBL2152750
- 2-Hexenoic acid,4-methyl-,(Z)-(8ci)
- (z)-3-methyl-2-hexenoic acid
- 18951-40-1
- (Z)-3-methyl-hex-2-enoic acid
- 54068-86-9
- DTXSID001020885
- cis-3-methyl-2-hexenoic acid
-
- Inchi： 1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-
- InChI Key： NTWSIWWJPQHFTO-WAYWQWQTSA-N
- SMILES： OC(/C=C(/C)\CCC)=O
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
2-Hexenoic acid, 3-methyl-, (2Z)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
54068-86-9 (2-Hexenoic acid, 3-methyl-, (2Z)-) Related Products
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