Cas no 659728-15-1 (Hexenone, methyl-)
Hexenone, methyl- structure
Product Name:Hexenone, methyl-
CAS No:659728-15-1
MF:C7H12O
MW:112.169582366943
CID:397026
PubChem ID:54559114
Update Time:2025-04-19
Hexenone, methyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexenone, methyl-
- hept-4-en-3-one
- DTXSID80712199
- methylhexenon
- 659728-15-1
-
- Inchi： 1S/C7H12O/c1-3-5-6-7(8)4-2/h5-6H,3-4H2,1-2H3
- InChI Key： ZPGYUDWZVQOWNY-UHFFFAOYSA-N
- SMILES： O=C(C=CCC)CC
Computed Properties
- Exact Mass: 112.08886
- Monoisotopic Mass: 112.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 92.6
- 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: 1.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Hexenone, methyl- Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
659728-15-1 (Hexenone, methyl-) Related Products
- 103560-62-9((E)-4-Oxo-2-nonenal)
- 4643-27-0(2-Octen-4-one)
- 2497-21-4(4-Hexen-3-one)
- 1121-66-0(2-Cycloheptenone)
- 2492-43-5(2-Hexenal, 4-oxo-,(2E)-)
- 409-02-9(Heptenone, methyl-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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