Cas no 1255206-98-4 (5-(2-Hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one)
1255206-98-4 structure
Product Name:5-(2-Hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one
CAS No:1255206-98-4
MF:C11H12O3
MW:192.211183547974
CID:2192857
Update Time:2023-08-07
5-(2-Hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one Chemical and Physical Properties
Names and Identifiers
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- 5-(2-Hydroxyethyl)-6-methylisobenzofuran-1(3h)-one
- 5-(2-hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one
- MVDSCDWWDPNIGG-UHFFFAOYSA-N
- 5-(2-Hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one
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- Inchi： 1S/C11H12O3/c1-7-4-10-9(6-14-11(10)13)5-8(7)2-3-12/h4-5,12H,2-3,6H2,1H3
- InChI Key： MVDSCDWWDPNIGG-UHFFFAOYSA-N
- SMILES： O1C(C2C=C(C)C(CCO)=CC=2C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 227
- Topological Polar Surface Area: 46.5
5-(2-Hydroxyethyl)-6-methyl-2-benzofuran-1(3H)-one Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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