Cas no 189828-67-9 (Ethanone,1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)-)
189828-67-9 structure
Product Name:Ethanone,1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)-
CAS No:189828-67-9
MF:C11H10O4
MW:206.194703578949
CID:115717
PubChem ID:11579343
Update Time:2025-04-18
Ethanone,1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)-
- Ethanone, 1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)- (9CI)
- 1-(5,6-Dihydroxy-2-methylbenzofuran-3-yl)ethanone
- 1-(5,6-DIHYDROXY-2-METHYL-1-BENZOFURAN-3-YL)ETHANONE
- 189828-67-9
-
- Inchi： 1S/C11H10O4/c1-5(12)11-6(2)15-10-4-9(14)8(13)3-7(10)11/h3-4,13-14H,1-2H3
- InChI Key： HSWRQRBMNFLILB-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=O)C2C=C(C(=CC1=2)O)O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 265
- 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: 1.7
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- PSA: 70.67
Ethanone,1-(5,6-dihydroxy-2-methyl-3-benzofuranyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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