Cas no 26076-49-3 (p-Benzenediboronicacid, cyclic B,B:B',B'-bis(iminodiethylene) ester (8CI))
26076-49-3 structure
Product Name:p-Benzenediboronicacid, cyclic B,B:B',B'-bis(iminodiethylene) ester (8CI)
CAS No:26076-49-3
MF:C14H22B2N2O4
MW:303.957483768463
CID:290393
PubChem ID:312173
Update Time:2025-04-19
p-Benzenediboronicacid, cyclic B,B:B',B'-bis(iminodiethylene) ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- p-Benzenediboronicacid, cyclic B,B:B',B'-bis(iminodiethylene) ester (8CI)
- 2-[4-(1,3,6,2-dioxazaborocan-2-yl)phenyl]-1,3,6,2-dioxazaborocane
- 26076-49-3
- NSC221143
- DTXSID10310001
- NSC-221143
-
- Inchi： 1S/C14H22B2N2O4/c1-2-14(16-21-11-7-18-8-12-22-16)4-3-13(1)15-19-9-5-17-6-10-20-15/h1-4,17-18H,5-12H2
- InChI Key： WMQGCYRYELTXPS-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(B3OCCNCCO3)=CC=2)OCCNCC1
Computed Properties
- Exact Mass: 302.18386
- Monoisotopic Mass: 304.1765675g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 273
- 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: 61?2
Experimental Properties
- PSA: 60.98
p-Benzenediboronicacid, cyclic B,B:B',B'-bis(iminodiethylene) ester (8CI) Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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