Cas no 885069-01-2 (2-Thiophenecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-)
885069-01-2 structure
Product Name:2-Thiophenecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS No:885069-01-2
MF:C10H13BO4S
MW:240.083822011948
CID:1927931
PubChem ID:68932577
Update Time:2025-04-21
2-Thiophenecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
- 5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-thiophene-2-carboxylic acid
- DB-154622
- 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-thiophenecarboxylic acid
- SCHEMBL4150063
- 885069-01-2
- JVLIAQMDTZVXIM-UHFFFAOYSA-N
-
- Inchi： 1S/C10H13BO4S/c1-10(2)5-14-11(15-6-10)8-4-3-7(16-8)9(12)13/h3-4H,5-6H2,1-2H3,(H,12,13)
- InChI Key： JVLIAQMDTZVXIM-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1B1OCC(C)(C)CO1
Computed Properties
- Exact Mass: 240.0627602Da
- Monoisotopic Mass: 240.0627602Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 274
- 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: 84?2
2-Thiophenecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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