Cas no 19799-13-4 (3,4-Dimethylthiophene-2,5-dicarboxylic acid)
19799-13-4 structure
Product Name:3,4-Dimethylthiophene-2,5-dicarboxylic acid
CAS No:19799-13-4
MF:C8H8O4S
MW:200.211721420288
CID:2920190
Update Time:2023-08-10
3,4-Dimethylthiophene-2,5-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3,4-dimethylthiophene-2,5-dicarboxylic acid
- dimethylthiophene-2,5-dicarboxylic acid
- 3,4-di-methylthiophene-2,5-dicarboxylic acid
- 3,4-Dimethylthiophene-2,5-dicarboxylic acid
-
- Inchi： 1S/C8H8O4S/c1-3-4(2)6(8(11)12)13-5(3)7(9)10/h1-2H3,(H,9,10)(H,11,12)
- InChI Key： OOXLBCRRSIYSPI-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(C)C(C)=C1C(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 216
- XLogP3: 2.1
- Topological Polar Surface Area: 103
3,4-Dimethylthiophene-2,5-dicarboxylic acid Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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