Cas no 81842-16-2 (3-Cyclohexen-1-one, 4-(2-propenyl)-)
81842-16-2 structure
Product Name:3-Cyclohexen-1-one, 4-(2-propenyl)-
CAS No:81842-16-2
MF:C9H12O
MW:136.190982818604
CID:702826
PubChem ID:13213622
Update Time:2025-04-19
3-Cyclohexen-1-one, 4-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexen-1-one, 4-(2-propenyl)-
- 4-prop-2-enylcyclohex-3-en-1-one
- 3-Cyclohexen-1-one,4-(2-propenyl)
- 4-allyl-3-cyclohexenone
- 4-(Prop-2-en-1-yl)cyclohex-3-en-1-one
- 4-allyl-3-cyclohexen-1-one
- 81842-16-2
- AKOS017516768
- DTXSID00528537
-
- Inchi： 1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h2,4H,1,3,5-7H2
- InChI Key： VHCODJXPHRUNAF-UHFFFAOYSA-N
- SMILES： O=C1CC=C(CC=C)CC1
Computed Properties
- Exact Mass: 136.08900
- Monoisotopic Mass: 136.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 177
- 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: 1.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.24190
3-Cyclohexen-1-one, 4-(2-propenyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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