Cas no 87256-39-1 (2(3H)-Oxepinone, 4,7-dihydro-)
2(3H)-Oxepinone, 4,7-dihydro- structure
Product Name:2(3H)-Oxepinone, 4,7-dihydro-
CAS No:87256-39-1
MF:C6H8O2
MW:112.126522064209
CID:658666
PubChem ID:13331108
Update Time:2025-04-19
2(3H)-Oxepinone, 4,7-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Oxepinone, 4,7-dihydro-
- 5,6-dihydro-2H-oxepin-7-one
- DTXSID10537115
- SCHEMBL2450665
- 87256-39-1
- 4,7-Dihydrooxepin-2(3H)-one
-
- Inchi： 1S/C6H8O2/c7-6-4-2-1-3-5-8-6/h1,3H,2,4-5H2
- InChI Key： UEBKKQBYJFXHRI-UHFFFAOYSA-N
- SMILES： O1C(CCC=CC1)=O
Computed Properties
- Exact Mass: 112.052429494g/mol
- Monoisotopic Mass: 112.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 116
- 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: 0.7
- Topological Polar Surface Area: 26.3?2
2(3H)-Oxepinone, 4,7-dihydro- Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
87256-39-1 (2(3H)-Oxepinone, 4,7-dihydro-) Related Products
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