Cas no 88897-94-3 (Ethanone, 1-(2,3-dihydro-6-hydroxy-7-methoxy-5-benzofuranyl)-)
88897-94-3 structure
Product Name:Ethanone, 1-(2,3-dihydro-6-hydroxy-7-methoxy-5-benzofuranyl)-
CAS No:88897-94-3
MF:C11H12O4
MW:208.210583686829
CID:620114
PubChem ID:13300800
Update Time:2025-04-19
Ethanone, 1-(2,3-dihydro-6-hydroxy-7-methoxy-5-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2,3-dihydro-6-hydroxy-7-methoxy-5-benzofuranyl)-
- 1-(6-hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
- SCHEMBL10887471
- DTXSID60535686
- 1-(6-Hydroxy-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
- 88897-94-3
-
- Inchi： 1S/C11H12O4/c1-6(12)8-5-7-3-4-15-10(7)11(14-2)9(8)13/h5,13H,3-4H2,1-2H3
- InChI Key： SSRKCUNWHUEOSQ-UHFFFAOYSA-N
- SMILES： O1CCC2C=C(C(C)=O)C(=C(C1=2)OC)O
Computed Properties
- Exact Mass: 208.07355886g/mol
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 1.8
- Topological Polar Surface Area: 55.8?2
Ethanone, 1-(2,3-dihydro-6-hydroxy-7-methoxy-5-benzofuranyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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