Cas no 60398-94-9 (1,3-Isobenzofurandione,4,6-dimethyl-(9CI))
60398-94-9 structure
Product Name:1,3-Isobenzofurandione,4,6-dimethyl-(9CI)
1,3-Isobenzofurandione,4,6-dimethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Isobenzofurandione,4,6-dimethyl-(9CI)
- 1,3-Isobenzofurandione, 4,6-dimethyl-
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- Inchi： 1S/C10H8O3/c1-5-3-6(2)8-7(4-5)9(11)13-10(8)12/h3-4H,1-2H3
- InChI Key： IHUYUMPALWUDCU-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C(C)=CC(C)=C2)C(=O)O1
Computed Properties
- Exact Mass: 176.047
- Monoisotopic Mass: 176.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 2
1,3-Isobenzofurandione,4,6-dimethyl-(9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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