Cas no 335168-62-2 (1(3H)-Isobenzofuranone, 5-(1,3-dioxolan-2-yl)-)
335168-62-2 structure
Product Name:1(3H)-Isobenzofuranone, 5-(1,3-dioxolan-2-yl)-
CAS No:335168-62-2
MF:C11H10O4
MW:206.194703578949
CID:1457803
PubChem ID:58478739
Update Time:2025-04-20
1(3H)-Isobenzofuranone, 5-(1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 5-(1,3-dioxolan-2-yl)-
- 5-(1,3-Dioxolan-2-yl)isobenzofuran-1(3H)-one
- 5-[1,3]dioxolan-2-yl-3H-isobenzofuran-1-one
- OMPIMGADQXUUFN-UHFFFAOYSA-N
- SCHEMBL6103471
- 335168-62-2
-
- Inchi： 1S/C11H10O4/c12-10-9-2-1-7(5-8(9)6-15-10)11-13-3-4-14-11/h1-2,5,11H,3-4,6H2
- InChI Key： OMPIMGADQXUUFN-UHFFFAOYSA-N
- SMILES： O1CCOC1C1=CC=C2C(=O)OCC2=C1
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 0.8
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
1(3H)-Isobenzofuranone, 5-(1,3-dioxolan-2-yl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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