Cas no 144206-16-6 (2-Propenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,(2E)-)
144206-16-6 structure
Product Name:2-Propenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,(2E)-
CAS No:144206-16-6
MF:C9H15BO4
MW:198.024003267288
CID:1314877
PubChem ID:10878109
Update Time:2025-04-20
2-Propenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,(2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,(2E)-
- (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoic acid
- DTXSID70446810
- CS-0372609
- (2E)-3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoic acid
- DB-092372
- (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylic acid
- 144206-16-6
- SCHEMBL1527473
-
- Inchi： 1S/C9H15BO4/c1-8(2)9(3,4)14-10(13-8)6-5-7(11)12/h5-6H,1-4H3,(H,11,12)/b6-5+
- InChI Key： BSKAZYSWDPJQJL-AATRIKPKSA-N
- SMILES： O1B(/C=C/C(=O)O)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 197.10995
- Monoisotopic Mass: 198.1063391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
2-Propenoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,(2E)- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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