Cas no 110449-93-9 (dimethyl 1-benzothiophene-6,7-dicarboxylate)
110449-93-9 structure
Product Name:dimethyl 1-benzothiophene-6,7-dicarboxylate
CAS No:110449-93-9
MF:C12H10O4S
MW:250.270402431488
CID:2606374
PubChem ID:10729332
Update Time:2025-04-21
dimethyl 1-benzothiophene-6,7-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 1-benzothiophene-6,7-dicarboxylate
- Benzo[b]thiophene-6,7-dicarboxylic acid, dimethyl ester
- DTXSID50444091
- 110449-93-9
-
- Inchi： 1S/C12H10O4S/c1-15-11(13)8-4-3-7-5-6-17-10(7)9(8)12(14)16-2/h3-6H,1-2H3
- InChI Key： KQGLLOIOKVDPBH-UHFFFAOYSA-N
- SMILES： S1C=CC2C=CC(C(=O)OC)=C(C(=O)OC)C1=2
Computed Properties
- Exact Mass: 250.02997997Da
- Monoisotopic Mass: 250.02997997Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 318
- 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: 2.6
- Topological Polar Surface Area: 80.8?2
dimethyl 1-benzothiophene-6,7-dicarboxylate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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