Cas no 29372-98-3 (1-(Cyclohex-2-enyl)ethanone)
1-(Cyclohex-2-enyl)ethanone structure
Product Name:1-(Cyclohex-2-enyl)ethanone
CAS No:29372-98-3
MF:C8H12O
MW:124.180282592773
CID:2927859
PubChem ID:12556218
Update Time:2025-04-21
1-(Cyclohex-2-enyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL1785347
- 1-(Cyclohex-2-en-1-yl)ethan-1-one
- 1-(Cyclohex-2-enyl)ethanone
- tetrahydroacetophenone
- 29372-98-3
-
- Inchi： 1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
- InChI Key： ZAVHBBVUMWAKJI-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CCCC1
Computed Properties
- Exact Mass: 124.088815002g/mol
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 17.1?2
1-(Cyclohex-2-enyl)ethanone Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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