Cas no 742079-79-4 (2(3H)-Benzofuranone,6-ethyl-)
2(3H)-Benzofuranone,6-ethyl- structure
Product Name:2(3H)-Benzofuranone,6-ethyl-
CAS No:742079-79-4
MF:C10H10O2
MW:162.185203075409
CID:560375
PubChem ID:10441987
Update Time:2025-04-19
2(3H)-Benzofuranone,6-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzofuranone,6-ethyl-
- 742079-79-4
- 6-Ethylbenzofuran-2(3H)-one
- SCHEMBL14050228
-
- Inchi： 1S/C10H10O2/c1-2-7-3-4-8-6-10(11)12-9(8)5-7/h3-5H,2,6H2,1H3
- InChI Key： XECYXYYIDSZKTN-UHFFFAOYSA-N
- SMILES： O1C(CC2C=CC(CC)=CC1=2)=O
Computed Properties
- Exact Mass: 162.068079557g/mol
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 2.1
- Topological Polar Surface Area: 26.3?2
2(3H)-Benzofuranone,6-ethyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
742079-79-4 (2(3H)-Benzofuranone,6-ethyl-) Related Products
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