Cas no 56671-84-2 (2-Cyclohexen-1-one, 3-iodo-2-methyl-)
56671-84-2 structure
Product Name:2-Cyclohexen-1-one, 3-iodo-2-methyl-
CAS No:56671-84-2
MF:C7H9IO
MW:236.050234556198
CID:348162
PubChem ID:11264840
Update Time:2025-04-19
2-Cyclohexen-1-one, 3-iodo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 3-iodo-2-methyl-
- 3-iodo-2-methylcyclohex-2-en-1-one
- DTXSID20460541
- 3-iodo-2-methyl-2-cyclohexen-1-one
- 56671-84-2
-
- Inchi： 1S/C7H9IO/c1-5-6(8)3-2-4-7(5)9/h2-4H2,1H3
- InChI Key： RPYZYPSUFPTSJT-UHFFFAOYSA-N
- SMILES： IC1=C(C)C(CCC1)=O
Computed Properties
- Exact Mass: 235.96937
- Monoisotopic Mass: 235.96981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 170
- 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: 1.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one, 3-iodo-2-methyl- Related Literature
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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